2,4-dimethyloct-4-ene-1,8-diamine

C10H22N2 — CID 57077961

IUPAC2,4-dimethyloct-4-ene-1,8-diamine
SMILESCC(=CCCCN)CC(C)CN
InChIInChI=1S/C10H22N2/c1-9(5-3-4-6-11)7-10(2)8-12/h5,10H,3-4,6-8,11-12H2,1-2H3
InChIKeyHOTWCXMSSWKBHB-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.66
Rot. Bonds6

About 2,4-dimethyloct-4-ene-1,8-diamine

2,4-dimethyloct-4-ene-1,8-diamine (PubChem CID 57077961) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,4-dimethyloct-4-ene-1,8-diamine.

Molecular Properties

Compound Name2,4-dimethyloct-4-ene-1,8-diamine
PubChem CID57077961
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2,4-dimethyloct-4-ene-1,8-diamine
SMILESCC(=CCCCN)CC(C)CN
InChIInChI=1S/C10H22N2/c1-9(5-3-4-6-11)7-10(2)8-12/h5,10H,3-4,6-8,11-12H2,1-2H3
InChIKeyHOTWCXMSSWKBHB-UHFFFAOYSA-N
XLogP1.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloct-4-ene-1,8-diamine?
The IUPAC name of 2,4-dimethyloct-4-ene-1,8-diamine (CID 57077961) is 2,4-dimethyloct-4-ene-1,8-diamine.
What is the SMILES notation for 2,4-dimethyloct-4-ene-1,8-diamine?
The canonical SMILES for 2,4-dimethyloct-4-ene-1,8-diamine is CC(=CCCCN)CC(C)CN.
What is the InChIKey of 2,4-dimethyloct-4-ene-1,8-diamine?
The InChIKey is HOTWCXMSSWKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(5-3-4-6-11)7-10(2)8-12/h5,10H,3-4,6-8,11-12H2,1-2H3.
What are the key properties of 2,4-dimethyloct-4-ene-1,8-diamine?
2,4-dimethyloct-4-ene-1,8-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloct-4-ene-1,8-diamine is sourced from PubChem (CID 57077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).