2,4-dimethylhept-1-en-4-amine

C9H19N — CID 152808962

IUPAC2,4-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(C)(N)CCC
InChIInChI=1S/C9H19N/c1-5-6-9(4,10)7-8(2)3/h2,5-7,10H2,1,3-4H3
InChIKeySQDRWVTUOHRGSB-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.47
Rot. Bonds4

About 2,4-dimethylhept-1-en-4-amine

2,4-dimethylhept-1-en-4-amine (PubChem CID 152808962) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,4-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name2,4-dimethylhept-1-en-4-amine
PubChem CID152808962
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,4-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(C)(N)CCC
InChIInChI=1S/C9H19N/c1-5-6-9(4,10)7-8(2)3/h2,5-7,10H2,1,3-4H3
InChIKeySQDRWVTUOHRGSB-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethylhept-1-en-4-amine 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

4-ethyl-2-methyl-4-propylhept-1-ene
CID 123745566
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
propane;2,4,4-trimethylpent-1-ene
CID 145388380
4-amino-2,4-dimethylhept-1-en-3-one
CID 88989754
3,5-dimethylhex-5-en-3-ol
CID 552026
2,5-dimethylhex-5-en-2-amine
CID 130178475
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
1,1,1-trifluoro-3-methylhexan-3-amine
CID 131227924
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
2,4-dimethyl-1-phenylpent-4-en-2-amine;2-methylpropane-2-thiol
CID 145365228
3-amino-3-methylheptanoic acid
CID 53262232

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhept-1-en-4-amine?
The IUPAC name of 2,4-dimethylhept-1-en-4-amine (CID 152808962) is 2,4-dimethylhept-1-en-4-amine.
What is the SMILES notation for 2,4-dimethylhept-1-en-4-amine?
The canonical SMILES for 2,4-dimethylhept-1-en-4-amine is C=C(C)CC(C)(N)CCC.
What is the InChIKey of 2,4-dimethylhept-1-en-4-amine?
The InChIKey is SQDRWVTUOHRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-6-9(4,10)7-8(2)3/h2,5-7,10H2,1,3-4H3.
What are the key properties of 2,4-dimethylhept-1-en-4-amine?
2,4-dimethylhept-1-en-4-amine has a molecular weight of 141.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhept-1-en-4-amine is sourced from PubChem (CID 152808962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).