1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine

C18H37N3 — CID 155082325

IUPAC1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine
SMILESCC(C)CCN1CCCC1CCCCN1CCC(N)CC1
InChIInChI=1S/C18H37N3/c1-16(2)8-15-21-12-5-7-18(21)6-3-4-11-20-13-9-17(19)10-14-20/h16-18H,3-15,19H2,1-2H3
InChIKeyHZRUWOUXGDRMDW-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds8

About 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine

1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine (PubChem CID 155082325) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine
PubChem CID155082325
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine
SMILESCC(C)CCN1CCCC1CCCCN1CCC(N)CC1
InChIInChI=1S/C18H37N3/c1-16(2)8-15-21-12-5-7-18(21)6-3-4-11-20-13-9-17(19)10-14-20/h16-18H,3-15,19H2,1-2H3
InChIKeyHZRUWOUXGDRMDW-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-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 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine?
The IUPAC name of 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine (CID 155082325) is 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine is CC(C)CCN1CCCC1CCCCN1CCC(N)CC1.
What is the InChIKey of 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine?
The InChIKey is HZRUWOUXGDRMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)8-15-21-12-5-7-18(21)6-3-4-11-20-13-9-17(19)10-14-20/h16-18H,3-15,19H2,1-2H3.
What are the key properties of 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine?
1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine is sourced from PubChem (CID 155082325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).