4,6-dimethylhept-3-en-1-amine

C9H19N — CID 76997294

IUPAC4,6-dimethylhept-3-en-1-amine
SMILESCC(=CCCN)CC(C)C
InChIInChI=1S/C9H19N/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7,10H2,1-3H3
InChIKeyPGPBRLHJVYOPAH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About 4,6-dimethylhept-3-en-1-amine

4,6-dimethylhept-3-en-1-amine (PubChem CID 76997294) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4,6-dimethylhept-3-en-1-amine.

Molecular Properties

Compound Name4,6-dimethylhept-3-en-1-amine
PubChem CID76997294
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4,6-dimethylhept-3-en-1-amine
SMILESCC(=CCCN)CC(C)C
InChIInChI=1S/C9H19N/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7,10H2,1-3H3
InChIKeyPGPBRLHJVYOPAH-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
CID 89277874
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
5,7-dimethyloct-4-enal
CID 154103325
(Z)-N,N,4,6-tetramethylhept-3-en-1-amine
CID 163544374
(E)-4-methylhex-3-en-1-amine
CID 63969892
(E)-3,5-dimethylhex-2-en-1-ol
CID 13415310
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
4-methylnon-3-en-1-amine
CID 79593569
(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
5,5-difluoro-4-methylpent-3-en-1-amine
CID 80611327
3,7,9-trimethyldeca-2,6-dienyl 2-hydroxy-2-methylpropanoate
CID 166505158
4-methyl-6-methylideneoct-3-en-1-amine
CID 79590523

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylhept-3-en-1-amine?
The IUPAC name of 4,6-dimethylhept-3-en-1-amine (CID 76997294) is 4,6-dimethylhept-3-en-1-amine.
What is the SMILES notation for 4,6-dimethylhept-3-en-1-amine?
The canonical SMILES for 4,6-dimethylhept-3-en-1-amine is CC(=CCCN)CC(C)C.
What is the InChIKey of 4,6-dimethylhept-3-en-1-amine?
The InChIKey is PGPBRLHJVYOPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)7-9(3)5-4-6-10/h5,8H,4,6-7,10H2,1-3H3.
What are the key properties of 4,6-dimethylhept-3-en-1-amine?
4,6-dimethylhept-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylhept-3-en-1-amine is sourced from PubChem (CID 76997294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).