3-pentan-3-ylhexa-3,5-dien-1-amine

C11H21N — CID 91551966

IUPAC3-pentan-3-ylhexa-3,5-dien-1-amine
SMILESC=CC=C(CCN)C(CC)CC
InChIInChI=1S/C11H21N/c1-4-7-11(8-9-12)10(5-2)6-3/h4,7,10H,1,5-6,8-9,12H2,2-3H3
InChIKeyOKBFLMQJJKNPOD-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds6

About 3-pentan-3-ylhexa-3,5-dien-1-amine

3-pentan-3-ylhexa-3,5-dien-1-amine (PubChem CID 91551966) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-pentan-3-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name3-pentan-3-ylhexa-3,5-dien-1-amine
PubChem CID91551966
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-pentan-3-ylhexa-3,5-dien-1-amine
SMILESC=CC=C(CCN)C(CC)CC
InChIInChI=1S/C11H21N/c1-4-7-11(8-9-12)10(5-2)6-3/h4,7,10H,1,5-6,8-9,12H2,2-3H3
InChIKeyOKBFLMQJJKNPOD-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[(1S)-cyclohex-3-en-1-yl]ethan-1-amine
CID 92981480
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
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(Cyclohept-4-en-1-yl)methanamine hydrochloride
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Dihydrophenylethylamine
CID 14846436
Cycloheptene-5-propylamine
CID 22056886
(4R)-4-ethylhex-5-en-1-amine
CID 24767553
1-Methyl-amphetamine
CID 69085976
4-Cyclooctene-1-methaneamine
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2-(6-Fluoro-6-methylcyclohexa-2,4-dien-1-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-ylhexa-3,5-dien-1-amine?
The IUPAC name of 3-pentan-3-ylhexa-3,5-dien-1-amine (CID 91551966) is 3-pentan-3-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for 3-pentan-3-ylhexa-3,5-dien-1-amine?
The canonical SMILES for 3-pentan-3-ylhexa-3,5-dien-1-amine is C=CC=C(CCN)C(CC)CC.
What is the InChIKey of 3-pentan-3-ylhexa-3,5-dien-1-amine?
The InChIKey is OKBFLMQJJKNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-11(8-9-12)10(5-2)6-3/h4,7,10H,1,5-6,8-9,12H2,2-3H3.
What are the key properties of 3-pentan-3-ylhexa-3,5-dien-1-amine?
3-pentan-3-ylhexa-3,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 91551966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).