N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine

C50H106N8O — CID 158140262

IUPACN,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESCC(C)CCN(C)C1CCNCC1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1C[C@@H]2C[C@H]1CN2.CC(C)CCNCC1CCNCC1.CNC(=O)CCC(C)C
InChIInChI=1S/2C11H24N2.C11H23N.C10H20N2.C7H15NO/c1-10(2)6-9-13(3)11-4-7-12-8-5-11;1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)3-4-12-7-9-5-10(12)6-11-9;1-6(2)4-5-7(9)8-3/h10-12H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9)/t;;;9-,10-;/m...0./s1
InChIKeyFTVRKAHVPKWEPP-IIGGDLSBSA-N
MW835.45 g/mol
LogP8.35
Rot. Bonds18

About N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine

N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine (PubChem CID 158140262) has the molecular formula C50H106N8O and a molecular weight of 835.45 g/mol. Its IUPAC name is N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
PubChem CID158140262
Molecular FormulaC50H106N8O
Molecular Weight835.45 g/mol
Exact Mass834.85
IUPAC NameN,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESCC(C)CCN(C)C1CCNCC1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1C[C@@H]2C[C@H]1CN2.CC(C)CCNCC1CCNCC1.CNC(=O)CCC(C)C
InChIInChI=1S/2C11H24N2.C11H23N.C10H20N2.C7H15NO/c1-10(2)6-9-13(3)11-4-7-12-8-5-11;1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)3-4-12-7-9-5-10(12)6-11-9;1-6(2)4-5-7(9)8-3/h10-12H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9)/t;;;9-,10-;/m...0./s1
InChIKeyFTVRKAHVPKWEPP-IIGGDLSBSA-N
XLogP8.35
TPSA86.94 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.45
LogP ≤ 58.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine with MolForge

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Related Compounds

(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(3S)-1,3-di(propan-2-yl)piperazine;(2R)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide;(1R,4R,5S)-N-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-amine
CID 159450725
1-[4-(tert-butylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2,2-dimethylpropan-1-one;N-(1-tert-butylpyrrolidin-3-yl)-N,2,2-trimethylpropanamide;methane
CID 159799361
methane;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpyrrolidin-3-yl)methanone;bis(1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine);1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine;1-propan-2-yl-N-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-amine
CID 160274172
1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide
CID 161271167
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aS)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-4-methylpiperidine;N-(1-tert-butylpiperidin-4-yl)acetamide
CID 162264075
N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
CID 167662102

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine?
The IUPAC name of N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine (CID 158140262) is N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine is CC(C)CCN(C)C1CCNCC1.CC(C)CCN1CCC(C)CC1.CC(C)CCN1C[C@@H]2C[C@H]1CN2.CC(C)CCNCC1CCNCC1.CNC(=O)CCC(C)C.
What is the InChIKey of N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine?
The InChIKey is FTVRKAHVPKWEPP-IIGGDLSBSA-N. The full InChI is InChI=1S/2C11H24N2.C11H23N.C10H20N2.C7H15NO/c1-10(2)6-9-13(3)11-4-7-12-8-5-11;1-10(2)3-6-13-9-11-4-7-12-8-5-11;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)3-4-12-7-9-5-10(12)6-11-9;1-6(2)4-5-7(9)8-3/h10-12H,4-9H2,1-3H3;10-13H,3-9H2,1-2H3;10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9)/t;;;9-,10-;/m...0./s1.
What are the key properties of N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine?
N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine has a molecular weight of 835.45 g/mol, XLogP of 8.35, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpentanamide;(1S,4S)-2-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane;N-methyl-N-(3-methylbutyl)piperidin-4-amine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-N-(piperidin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 158140262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).