5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine

C20H42N2 — CID 174260043

IUPAC5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine
SMILESCCC(N1CCCCC1)N(CCCCC(C)C)CCC(C)C
InChIInChI=1S/C20H42N2/c1-6-20(21-14-9-7-10-15-21)22(17-13-19(4)5)16-11-8-12-18(2)3/h18-20H,6-17H2,1-5H3
InChIKeyHASJDTSHZFZNQA-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.38
Rot. Bonds11

About 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine

5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine (PubChem CID 174260043) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine
PubChem CID174260043
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine
SMILESCCC(N1CCCCC1)N(CCCCC(C)C)CCC(C)C
InChIInChI=1S/C20H42N2/c1-6-20(21-14-9-7-10-15-21)22(17-13-19(4)5)16-11-8-12-18(2)3/h18-20H,6-17H2,1-5H3
InChIKeyHASJDTSHZFZNQA-UHFFFAOYSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-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

Related Compounds

CID 3086549
CID 3086549
CID 111445
CID 111445
CID 643503
CID 643503
CID 11467348
CID 11467348
CID 11970849
CID 11970849
CID 221365
CID 221365
CID 297261
CID 297261
CID 101148684
CID 101148684
CID 15030028
CID 15030028
CID 15030033
CID 15030033
CID 15030034
CID 15030034
CID 15030039
CID 15030039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine (CID 174260043) is 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine is CCC(N1CCCCC1)N(CCCCC(C)C)CCC(C)C.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine?
The InChIKey is HASJDTSHZFZNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-6-20(21-14-9-7-10-15-21)22(17-13-19(4)5)16-11-8-12-18(2)3/h18-20H,6-17H2,1-5H3.
What are the key properties of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine?
5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine has a molecular weight of 310.57 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 174260043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).