2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine

C20H42N2 — CID 15030022

IUPAC2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCCN1CCCCC1
InChIInChI=1S/C20H42N2/c1-18(2)10-12-20(13-11-19(3)4)21-14-6-9-17-22-15-7-5-8-16-22/h18-21H,5-17H2,1-4H3
InChIKeyTZOKBNKJKFFUAD-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.08
Rot. Bonds12

About 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine

2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine (PubChem CID 15030022) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine.

Molecular Properties

Compound Name2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
PubChem CID15030022
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCCN1CCCCC1
InChIInChI=1S/C20H42N2/c1-18(2)10-12-20(13-11-19(3)4)21-14-6-9-17-22-15-7-5-8-16-22/h18-21H,5-17H2,1-4H3
InChIKeyTZOKBNKJKFFUAD-UHFFFAOYSA-N
XLogP5.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
CID 70378610
7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
CID 19026114
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine?
The IUPAC name of 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine (CID 15030022) is 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine.
What is the SMILES notation for 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine?
The canonical SMILES for 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine is CC(C)CCC(CCC(C)C)NCCCCN1CCCCC1.
What is the InChIKey of 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine?
The InChIKey is TZOKBNKJKFFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-18(2)10-12-20(13-11-19(3)4)21-14-6-9-17-22-15-7-5-8-16-22/h18-21H,5-17H2,1-4H3.
What are the key properties of 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine?
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine has a molecular weight of 310.57 g/mol, XLogP of 5.08, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine is sourced from PubChem (CID 15030022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).