(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine

C14H28N2 — CID 107008015

IUPAC(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
SMILESC=CCCCCCN1CCCC(C)C1CN
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-8-9-13(2)14(16)12-15/h3,13-14H,1,4-12,15H2,2H3
InChIKeyBNBDIGDPXBCGNQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.79
Rot. Bonds7

About (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine

(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine (PubChem CID 107008015) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
PubChem CID107008015
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
SMILESC=CCCCCCN1CCCC(C)C1CN
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-8-9-13(2)14(16)12-15/h3,13-14H,1,4-12,15H2,2H3
InChIKeyBNBDIGDPXBCGNQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-hept-6-enyl-3-methylpiperidin-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

Related Compounds

1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
(1-decyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784470
(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784984
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
CID 77015374
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
CID 119925915
(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine?
The IUPAC name of (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine (CID 107008015) is (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine is C=CCCCCCN1CCCC(C)C1CN.
What is the InChIKey of (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine?
The InChIKey is BNBDIGDPXBCGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-5-6-7-10-16-11-8-9-13(2)14(16)12-15/h3,13-14H,1,4-12,15H2,2H3.
What are the key properties of (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine?
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 107008015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).