4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine

C11H19NO — CID 14768818

IUPAC4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCOC1=CC=CC(CCCCN)C1
InChIInChI=1S/C11H19NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,10H,2-3,5,8-9,12H2,1H3
InChIKeyGLUAYNLSCOKFTL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.22
Rot. Bonds5

About 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine

4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine (PubChem CID 14768818) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
PubChem CID14768818
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCOC1=CC=CC(CCCCN)C1
InChIInChI=1S/C11H19NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,10H,2-3,5,8-9,12H2,1H3
InChIKeyGLUAYNLSCOKFTL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Methoxycyclohex-3-en-1-yl)methanamine
CID 53231493
5-[6-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-methylpentan-1-amine
CID 57057151
3-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)propan-1-amine
CID 69136576
(6-Cyclopropyl-5-methoxy-6-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 69665522
2-(7-Methoxy-8,8a-dihydronaphthalen-1-yl)ethanamine
CID 89509531
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
4-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)butan-1-amine
CID 91534886
4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123241681
2-(7-Methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
CID 123461500
4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123815021
2-(4-Methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine
CID 123901361
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine (CID 14768818) is 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine is COC1=CC=CC(CCCCN)C1.
What is the InChIKey of 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine?
The InChIKey is GLUAYNLSCOKFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,10H,2-3,5,8-9,12H2,1H3.
What are the key properties of 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine?
4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxycyclohexa-2,4-dien-1-yl)butan-1-amine is sourced from PubChem (CID 14768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).