6-methylhept-5-ene-2,3-diamine

C8H18N2 — CID 18380626

IUPAC6-methylhept-5-ene-2,3-diamine
SMILESCC(C)=CCC(N)C(C)N
InChIInChI=1S/C8H18N2/c1-6(2)4-5-8(10)7(3)9/h4,7-8H,5,9-10H2,1-3H3
InChIKeyRWYFZGRFSGLVTO-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.02
Rot. Bonds3

About 6-methylhept-5-ene-2,3-diamine

6-methylhept-5-ene-2,3-diamine (PubChem CID 18380626) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 6-methylhept-5-ene-2,3-diamine.

Molecular Properties

Compound Name6-methylhept-5-ene-2,3-diamine
PubChem CID18380626
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name6-methylhept-5-ene-2,3-diamine
SMILESCC(C)=CCC(N)C(C)N
InChIInChI=1S/C8H18N2/c1-6(2)4-5-8(10)7(3)9/h4,7-8H,5,9-10H2,1-3H3
InChIKeyRWYFZGRFSGLVTO-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.02
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 6-methylhept-5-ene-2,3-diamine?
The IUPAC name of 6-methylhept-5-ene-2,3-diamine (CID 18380626) is 6-methylhept-5-ene-2,3-diamine.
What is the SMILES notation for 6-methylhept-5-ene-2,3-diamine?
The canonical SMILES for 6-methylhept-5-ene-2,3-diamine is CC(C)=CCC(N)C(C)N.
What is the InChIKey of 6-methylhept-5-ene-2,3-diamine?
The InChIKey is RWYFZGRFSGLVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(2)4-5-8(10)7(3)9/h4,7-8H,5,9-10H2,1-3H3.
What are the key properties of 6-methylhept-5-ene-2,3-diamine?
6-methylhept-5-ene-2,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-ene-2,3-diamine is sourced from PubChem (CID 18380626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).