2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine

C13H29N3 — CID 83012065

IUPAC2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)NN1C(C)CCCC1C
InChIInChI=1S/C13H29N3/c1-5-10(2)13(9-14)15-16-11(3)7-6-8-12(16)4/h10-13,15H,5-9,14H2,1-4H3
InChIKeyKKXUXFSVEGUDOV-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.13
Rot. Bonds5

About 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine

2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine (PubChem CID 83012065) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
PubChem CID83012065
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(CN)NN1C(C)CCCC1C
InChIInChI=1S/C13H29N3/c1-5-10(2)13(9-14)15-16-11(3)7-6-8-12(16)4/h10-13,15H,5-9,14H2,1-4H3
InChIKeyKKXUXFSVEGUDOV-UHFFFAOYSA-N
XLogP2.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine 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 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine (CID 83012065) is 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine is CCC(C)C(CN)NN1C(C)CCCC1C.
What is the InChIKey of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine?
The InChIKey is KKXUXFSVEGUDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-10(2)13(9-14)15-16-11(3)7-6-8-12(16)4/h10-13,15H,5-9,14H2,1-4H3.
What are the key properties of 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine?
2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 83012065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).