N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine

C17H37N3 — CID 126654304

IUPACN-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6/h18H,7-15H2,1-6H3
InChIKeyUJBFHXGSUWGJSY-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds6

About N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine

N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine (PubChem CID 126654304) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
PubChem CID126654304
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6/h18H,7-15H2,1-6H3
InChIKeyUJBFHXGSUWGJSY-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
CID 60851538
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
1-(3,3-dimethylbutyl)azocane
CID 166986973
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
1-(3,3-dimethylbutyl)-4-(2-methylsulfanylpropan-2-yl)piperazine
CID 129258640

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine (CID 126654304) is N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)CCN1CCN(CCCNC(C)(C)C)CC1.
What is the InChIKey of N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is UJBFHXGSUWGJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-16(2,3)8-11-20-14-12-19(13-15-20)10-7-9-18-17(4,5)6/h18H,7-15H2,1-6H3.
What are the key properties of N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine?
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 126654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).