(1Z)-3,4-dimethylhexa-1,5-dien-1-amine

C8H15N — CID 174319915

IUPAC(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
SMILESC=CC(C)C(C)/C=C\N
InChIInChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h4-8H,1,9H2,2-3H3/b6-5-
InChIKeyXIICDNLRUKNPSH-WAYWQWQTSA-N
MW125.21 g/mol
LogP1.92
Rot. Bonds3

About (1Z)-3,4-dimethylhexa-1,5-dien-1-amine

(1Z)-3,4-dimethylhexa-1,5-dien-1-amine (PubChem CID 174319915) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1Z)-3,4-dimethylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
PubChem CID174319915
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
SMILESC=CC(C)C(C)/C=C\N
InChIInChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h4-8H,1,9H2,2-3H3/b6-5-
InChIKeyXIICDNLRUKNPSH-WAYWQWQTSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.92
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

3,4-dimethylhexa-1,5-diene
CID 521244
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CID 100988529
3,4-dimethylnona-1,5-diene
CID 57098033
(2E)-4,5-dimethylhepta-2,6-dienoic acid
CID 139530210
(Z)-4-amino-1-iodo-2-methylbut-3-en-1-ol
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3-methylbut-1-en-1-amine;hydrochloride
CID 53405415
(2S)-but-3-en-2-amine
CID 10034575
methanamine;3-methylbut-1-ene
CID 161011072
4-fluoro-3-methylpent-1-ene
CID 123956032
buta-1,3-diene;2-methylpropane
CID 161376198
3,4,5-trimethyloct-1-ene
CID 123841596

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,4-dimethylhexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-3,4-dimethylhexa-1,5-dien-1-amine (CID 174319915) is (1Z)-3,4-dimethylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-3,4-dimethylhexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-3,4-dimethylhexa-1,5-dien-1-amine is C=CC(C)C(C)/C=C\N.
What is the InChIKey of (1Z)-3,4-dimethylhexa-1,5-dien-1-amine?
The InChIKey is XIICDNLRUKNPSH-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h4-8H,1,9H2,2-3H3/b6-5-.
What are the key properties of (1Z)-3,4-dimethylhexa-1,5-dien-1-amine?
(1Z)-3,4-dimethylhexa-1,5-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,4-dimethylhexa-1,5-dien-1-amine is sourced from PubChem (CID 174319915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).