4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine

C11H19N — CID 142067704

IUPAC4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
SMILESCC1=CC=C(CCCCN)CC1
InChIInChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3
InChIKeyXWYJECVGQNXBJG-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.78
Rot. Bonds4

About 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine

4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine (PubChem CID 142067704) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
PubChem CID142067704
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine
SMILESCC1=CC=C(CCCCN)CC1
InChIInChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3
InChIKeyXWYJECVGQNXBJG-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 142144499
CID 142144499
ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 143299864
(4-ethylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)diazene
CID 91539939
N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]propan-1-amine
CID 123995731
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
[4-(7-but-1-en-2-yloxyheptyl)cyclohexa-1,3-dien-1-yl]methanol
CID 143562353
5,5-dimethyl-3-methylidene-N-(2-methylprop-2-enyl)cyclohexen-1-amine;ethane;1-methyl-4-nonylcyclohexa-1,3-diene
CID 170763940
3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 18071348
4-methyl-2-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,1-diol
CID 123837997

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine?
The IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine (CID 142067704) is 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine is CC1=CC=C(CCCCN)CC1.
What is the InChIKey of 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine?
The InChIKey is XWYJECVGQNXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3.
What are the key properties of 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine?
4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-amine is sourced from PubChem (CID 142067704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).