4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine

C15H30N2 — CID 130374238

IUPAC4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine
SMILESC=C(CC(CC)NC)NC(CCCC)C(=C)C
InChIInChI=1S/C15H30N2/c1-7-9-10-15(12(3)4)17-13(5)11-14(8-2)16-6/h14-17H,3,5,7-11H2,1-2,4,6H3
InChIKeyNSCLSPYKKYJWKQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.61
Rot. Bonds10

About 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine

4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine (PubChem CID 130374238) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine
PubChem CID130374238
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine
SMILESC=C(CC(CC)NC)NC(CCCC)C(=C)C
InChIInChI=1S/C15H30N2/c1-7-9-10-15(12(3)4)17-13(5)11-14(8-2)16-6/h14-17H,3,5,7-11H2,1-2,4,6H3
InChIKeyNSCLSPYKKYJWKQ-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine (CID 130374238) is 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine is C=C(CC(CC)NC)NC(CCCC)C(=C)C.
What is the InChIKey of 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine?
The InChIKey is NSCLSPYKKYJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-9-10-15(12(3)4)17-13(5)11-14(8-2)16-6/h14-17H,3,5,7-11H2,1-2,4,6H3.
What are the key properties of 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine?
4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine is sourced from PubChem (CID 130374238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).