(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine

C14H30N2 — CID 134391079

IUPAC(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine
SMILESCCCC/C(=C/N)NCCCCCC(C)C
InChIInChI=1S/C14H30N2/c1-4-5-10-14(12-15)16-11-8-6-7-9-13(2)3/h12-13,16H,4-11,15H2,1-3H3/b14-12-
InChIKeyYBLMFSSGCKOGQD-OWBHPGMISA-N
MW226.41 g/mol
LogP3.78
Rot. Bonds10

About (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine

(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine (PubChem CID 134391079) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine
PubChem CID134391079
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine
SMILESCCCC/C(=C/N)NCCCCCC(C)C
InChIInChI=1S/C14H30N2/c1-4-5-10-14(12-15)16-11-8-6-7-9-13(2)3/h12-13,16H,4-11,15H2,1-3H3/b14-12-
InChIKeyYBLMFSSGCKOGQD-OWBHPGMISA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine (CID 134391079) is (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine is CCCC/C(=C/N)NCCCCCC(C)C.
What is the InChIKey of (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine?
The InChIKey is YBLMFSSGCKOGQD-OWBHPGMISA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-10-14(12-15)16-11-8-6-7-9-13(2)3/h12-13,16H,4-11,15H2,1-3H3/b14-12-.
What are the key properties of (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine?
(Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-(6-methylheptyl)hex-1-ene-1,2-diamine is sourced from PubChem (CID 134391079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).