[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine

C12H19NO — CID 123818058

IUPAC[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=C(C2CCOCC2)CC1
InChIInChI=1S/C12H19NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1,3,12H,2,4-9,13H2
InChIKeyIILUQOFOEHCHGZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.02
Rot. Bonds2

About [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine

[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 123818058) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID123818058
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=C(C2CCOCC2)CC1
InChIInChI=1S/C12H19NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1,3,12H,2,4-9,13H2
InChIKeyIILUQOFOEHCHGZ-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine 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

[(2S,6R)-6-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
CID 134408199
[(2R,6S)-6-(4-methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
CID 134408081
[6-(4-Methylcyclohexa-2,4-dien-1-yl)oxan-2-yl]methanamine
CID 134408094
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
Cyclohexen-1-yl(oxan-3-yl)methanamine
CID 63013990
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
5,5-Dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65177414

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine (CID 123818058) is [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine is NCC1=CC=C(C2CCOCC2)CC1.
What is the InChIKey of [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is IILUQOFOEHCHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1,3,12H,2,4-9,13H2.
What are the key properties of [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine?
[4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 123818058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).