(1-butylpiperidin-2-yl)methanamine

C10H22N2 — CID 43187042

IUPAC(1-butylpiperidin-2-yl)methanamine
SMILESCCCCN1CCCCC1CN
InChIInChI=1S/C10H22N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h10H,2-9,11H2,1H3
InChIKeyRNIKYSSEZFTHHG-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds4

About (1-butylpiperidin-2-yl)methanamine

(1-butylpiperidin-2-yl)methanamine (PubChem CID 43187042) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (1-butylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-butylpiperidin-2-yl)methanamine
PubChem CID43187042
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(1-butylpiperidin-2-yl)methanamine
SMILESCCCCN1CCCCC1CN
InChIInChI=1S/C10H22N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h10H,2-9,11H2,1H3
InChIKeyRNIKYSSEZFTHHG-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-butylpiperidin-2-yl)methanamine 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-butylpiperidin-2-yl)methanamine?
The IUPAC name of (1-butylpiperidin-2-yl)methanamine (CID 43187042) is (1-butylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-butylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-butylpiperidin-2-yl)methanamine is CCCCN1CCCCC1CN.
What is the InChIKey of (1-butylpiperidin-2-yl)methanamine?
The InChIKey is RNIKYSSEZFTHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h10H,2-9,11H2,1H3.
What are the key properties of (1-butylpiperidin-2-yl)methanamine?
(1-butylpiperidin-2-yl)methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-2-yl)methanamine is sourced from PubChem (CID 43187042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).