N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

C20H42N2 — CID 15030046

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCN(CCCN1C(C)CCCC1C)CCC(C)C
InChIInChI=1S/C20H42N2/c1-17(2)11-15-21(16-12-18(3)4)13-8-14-22-19(5)9-7-10-20(22)6/h17-20H,7-16H2,1-6H3
InChIKeyLFNAYAFZAODAGN-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.03
Rot. Bonds10

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 15030046) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID15030046
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCN(CCCN1C(C)CCCC1C)CCC(C)C
InChIInChI=1S/C20H42N2/c1-17(2)11-15-21(16-12-18(3)4)13-8-14-22-19(5)9-7-10-20(22)6/h17-20H,7-16H2,1-6H3
InChIKeyLFNAYAFZAODAGN-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 15030046) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is CC(C)CCN(CCCN1C(C)CCCC1C)CCC(C)C.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is LFNAYAFZAODAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-17(2)11-15-21(16-12-18(3)4)13-8-14-22-19(5)9-7-10-20(22)6/h17-20H,7-16H2,1-6H3.
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 310.57 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 15030046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).