4,5-dimethylhexa-2,5-dien-1-amine

C8H15N — CID 175574520

IUPAC4,5-dimethylhexa-2,5-dien-1-amine
SMILESC=C(C)C(C)C=CCN
InChIInChI=1S/C8H15N/c1-7(2)8(3)5-4-6-9/h4-5,8H,1,6,9H2,2-3H3
InChIKeyYKUGFSZDUSFCQM-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds3

About 4,5-dimethylhexa-2,5-dien-1-amine

4,5-dimethylhexa-2,5-dien-1-amine (PubChem CID 175574520) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4,5-dimethylhexa-2,5-dien-1-amine.

Molecular Properties

Compound Name4,5-dimethylhexa-2,5-dien-1-amine
PubChem CID175574520
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4,5-dimethylhexa-2,5-dien-1-amine
SMILESC=C(C)C(C)C=CCN
InChIInChI=1S/C8H15N/c1-7(2)8(3)5-4-6-9/h4-5,8H,1,6,9H2,2-3H3
InChIKeyYKUGFSZDUSFCQM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

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CID 154632735
5-aminopent-3-en-2-ol
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(4E)-2,3-dimethyldodeca-1,4-diene;ethane
CID 145000899
(4S)-4-propan-2-ylhexa-2,5-dien-1-amine
CID 90743426
(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
3-methyl-2-prop-1-en-2-ylbut-3-en-1-amine
CID 55284564
methyl 2-methylhex-3-enoate
CID 544076
7-fluoro-3-methylhept-4-en-2-one
CID 71330214
4-prop-1-en-2-ylocta-2,5-diene
CID 141105278
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
2-methylpropane;prop-2-en-1-amine
CID 161130166

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhexa-2,5-dien-1-amine?
The IUPAC name of 4,5-dimethylhexa-2,5-dien-1-amine (CID 175574520) is 4,5-dimethylhexa-2,5-dien-1-amine.
What is the SMILES notation for 4,5-dimethylhexa-2,5-dien-1-amine?
The canonical SMILES for 4,5-dimethylhexa-2,5-dien-1-amine is C=C(C)C(C)C=CCN.
What is the InChIKey of 4,5-dimethylhexa-2,5-dien-1-amine?
The InChIKey is YKUGFSZDUSFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)8(3)5-4-6-9/h4-5,8H,1,6,9H2,2-3H3.
What are the key properties of 4,5-dimethylhexa-2,5-dien-1-amine?
4,5-dimethylhexa-2,5-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhexa-2,5-dien-1-amine is sourced from PubChem (CID 175574520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).