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

C11H19NO — CID 142229938

IUPAC4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
SMILESCOC1=CC=C(CCCCN)CC1
InChIInChI=1S/C11H19NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3
InChIKeyLNAOGHMWLJQTRL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.37
Rot. Bonds5

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

4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine (PubChem CID 142229938) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
PubChem CID142229938
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
SMILESCOC1=CC=C(CCCCN)CC1
InChIInChI=1S/C11H19NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3
InChIKeyLNAOGHMWLJQTRL-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373944
2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
N-(3-methoxy-2-cyclohexenylidene)ethylamine
CID 129784528
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
2-[5-[2-(4-Methylcyclohexa-1,3-dien-1-yl)ethyl]oxolan-2-yl]ethanamine
CID 70326074
1-(2-Methoxy-5-methylidene-4-sulfanyloxycyclohexa-1,3-dien-1-yl)propan-2-amine
CID 87406793
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
2-(7-Methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
CID 123461500
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)ethanamine;molecular hydrogen
CID 141927472

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine?
The IUPAC name of 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine (CID 142229938) is 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine is COC1=CC=C(CCCCN)CC1.
What is the InChIKey of 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine?
The InChIKey is LNAOGHMWLJQTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5,7H,2-4,6,8-9,12H2,1H3.
What are the key properties of 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine?
4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexa-1,3-dien-1-yl)butan-1-amine is sourced from PubChem (CID 142229938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).