5-methyl-5-piperidin-1-ylhept-1-en-4-amine

C13H26N2 — CID 79065818

IUPAC5-methyl-5-piperidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C13H26N2/c1-4-9-12(14)13(3,5-2)15-10-7-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3
InChIKeyIABDWYNNRGKISP-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds5

About 5-methyl-5-piperidin-1-ylhept-1-en-4-amine

5-methyl-5-piperidin-1-ylhept-1-en-4-amine (PubChem CID 79065818) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-methyl-5-piperidin-1-ylhept-1-en-4-amine.

Molecular Properties

Compound Name5-methyl-5-piperidin-1-ylhept-1-en-4-amine
PubChem CID79065818
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-methyl-5-piperidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C13H26N2/c1-4-9-12(14)13(3,5-2)15-10-7-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3
InChIKeyIABDWYNNRGKISP-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-5-piperidin-1-ylhept-1-en-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 5-methyl-5-piperidin-1-ylhept-1-en-4-amine?
The IUPAC name of 5-methyl-5-piperidin-1-ylhept-1-en-4-amine (CID 79065818) is 5-methyl-5-piperidin-1-ylhept-1-en-4-amine.
What is the SMILES notation for 5-methyl-5-piperidin-1-ylhept-1-en-4-amine?
The canonical SMILES for 5-methyl-5-piperidin-1-ylhept-1-en-4-amine is C=CCC(N)C(C)(CC)N1CCCCC1.
What is the InChIKey of 5-methyl-5-piperidin-1-ylhept-1-en-4-amine?
The InChIKey is IABDWYNNRGKISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-9-12(14)13(3,5-2)15-10-7-6-8-11-15/h4,12H,1,5-11,14H2,2-3H3.
What are the key properties of 5-methyl-5-piperidin-1-ylhept-1-en-4-amine?
5-methyl-5-piperidin-1-ylhept-1-en-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-piperidin-1-ylhept-1-en-4-amine is sourced from PubChem (CID 79065818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).