3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine

C10H17N — CID 142554560

IUPAC3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
SMILESCC(CN)CC1C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,9-10H,6-8,11H2,1H3
InChIKeyCFGSABPXAHQZRB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.10
Rot. Bonds3

About 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine

3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine (PubChem CID 142554560) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
PubChem CID142554560
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
SMILESCC(CN)CC1C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,9-10H,6-8,11H2,1H3
InChIKeyCFGSABPXAHQZRB-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
5-propylcyclohexa-1,3-diene
CID 13212987
5-(3-methylheptyl)cyclohexa-1,3-diene
CID 23281661
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
(3R,4S)-4-amino-5-[(1S)-cyclohexa-2,4-dien-1-yl]-3-hydroxypentanoic acid
CID 58667236
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
CID 55279350
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine (CID 142554560) is 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine is CC(CN)CC1C=CC=CC1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine?
The InChIKey is CFGSABPXAHQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,9-10H,6-8,11H2,1H3.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine?
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine is sourced from PubChem (CID 142554560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).