2-methylocta-1,3-diene-1,1-diamine

C9H18N2 — CID 141341758

IUPAC2-methylocta-1,3-diene-1,1-diamine
SMILESCCCCC=CC(C)=C(N)N
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,3-5,10-11H2,1-2H3
InChIKeyQOFAXGZGKGUCBM-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds4

About 2-methylocta-1,3-diene-1,1-diamine

2-methylocta-1,3-diene-1,1-diamine (PubChem CID 141341758) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methylocta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name2-methylocta-1,3-diene-1,1-diamine
PubChem CID141341758
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methylocta-1,3-diene-1,1-diamine
SMILESCCCCC=CC(C)=C(N)N
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,3-5,10-11H2,1-2H3
InChIKeyQOFAXGZGKGUCBM-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylocta-1,3-diene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diaminooctadiene
CID 73656812
(3E)-octa-1,3-diene-1,1-diamine
CID 19899535
(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine
CID 88542970
2-Methyl-6-methylideneocta-2,7-diene-1,1-diamine
CID 88769812
(3E)-3,7-dimethylocta-1,3,7-triene;urea
CID 88775781
(1Z)-1-[(6Z)-5-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-ylidene]ethanamine
CID 88961282
(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine
CID 89293968
(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine
CID 126536422
(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
CID 126593826
(3E)-6-methyl-4-propylhepta-1,3,5-trien-3-amine
CID 132012606
(3Z,5Z)-4-propan-2-ylhepta-1,3,5-triene-1,1-diamine
CID 132146006
[(6Z)-6-(aminomethylidene)-3-propylcyclohexa-2,4-dien-1-ylidene]methanediamine
CID 134189612

Frequently Asked Questions

What is the IUPAC name of 2-methylocta-1,3-diene-1,1-diamine?
The IUPAC name of 2-methylocta-1,3-diene-1,1-diamine (CID 141341758) is 2-methylocta-1,3-diene-1,1-diamine.
What is the SMILES notation for 2-methylocta-1,3-diene-1,1-diamine?
The canonical SMILES for 2-methylocta-1,3-diene-1,1-diamine is CCCCC=CC(C)=C(N)N.
What is the InChIKey of 2-methylocta-1,3-diene-1,1-diamine?
The InChIKey is QOFAXGZGKGUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-6-7-8(2)9(10)11/h6-7H,3-5,10-11H2,1-2H3.
What are the key properties of 2-methylocta-1,3-diene-1,1-diamine?
2-methylocta-1,3-diene-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-1,3-diene-1,1-diamine is sourced from PubChem (CID 141341758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).