cyclohexanamine;3-phenylprop-2-enal

C15H21NO — CID 163727365

IUPACcyclohexanamine;3-phenylprop-2-enal
SMILESNC1CCCCC1.O=CC=Cc1ccccc1
InChIInChI=1S/C9H8O.C6H13N/c10-8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6/h1-8H;6H,1-5,7H2
InChIKeyKWSXVBGLSBZZOM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds2

About cyclohexanamine;3-phenylprop-2-enal

cyclohexanamine;3-phenylprop-2-enal (PubChem CID 163727365) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cyclohexanamine;3-phenylprop-2-enal.

Molecular Properties

Compound Namecyclohexanamine;3-phenylprop-2-enal
PubChem CID163727365
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecyclohexanamine;3-phenylprop-2-enal
SMILESNC1CCCCC1.O=CC=Cc1ccccc1
InChIInChI=1S/C9H8O.C6H13N/c10-8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6/h1-8H;6H,1-5,7H2
InChIKeyKWSXVBGLSBZZOM-UHFFFAOYSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cyclohexanamine;3-phenylprop-2-enal 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

alumane;(E)-3-phenylprop-2-enal
CID 173462374
CID 173401175
CID 173401175
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
phenol;(E)-3-phenylprop-2-enal
CID 159568112
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid
CID 57130358
3-phenylprop-2-enal;thiophene
CID 157433111
3-phenylprop-2-enal;propan-2-ol
CID 158457423
pentanedial;3-phenylprop-2-enal
CID 174110085
cyclohexanamine;diphenylmethanediamine
CID 175293358
[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;3-phenylprop-2-enal?
The IUPAC name of cyclohexanamine;3-phenylprop-2-enal (CID 163727365) is cyclohexanamine;3-phenylprop-2-enal.
What is the SMILES notation for cyclohexanamine;3-phenylprop-2-enal?
The canonical SMILES for cyclohexanamine;3-phenylprop-2-enal is NC1CCCCC1.O=CC=Cc1ccccc1.
What is the InChIKey of cyclohexanamine;3-phenylprop-2-enal?
The InChIKey is KWSXVBGLSBZZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C6H13N/c10-8-4-7-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6/h1-8H;6H,1-5,7H2.
What are the key properties of cyclohexanamine;3-phenylprop-2-enal?
cyclohexanamine;3-phenylprop-2-enal has a molecular weight of 231.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;3-phenylprop-2-enal is sourced from PubChem (CID 163727365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).