1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine

C16H23N — CID 55060313

IUPAC1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
SMILESCC1(NC/C=C/c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-16(12-6-3-7-13-16)17-14-8-11-15-9-4-2-5-10-15/h2,4-5,8-11,17H,3,6-7,12-14H2,1H3/b11-8+
InChIKeyVPSRBFILDVAZAT-DHZHZOJOSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds4

About 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine

1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine (PubChem CID 55060313) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
PubChem CID55060313
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
SMILESCC1(NC/C=C/c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-16(12-6-3-7-13-16)17-14-8-11-15-9-4-2-5-10-15/h2,4-5,8-11,17H,3,6-7,12-14H2,1H3/b11-8+
InChIKeyVPSRBFILDVAZAT-DHZHZOJOSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
CID 107898901
N-(1-methylcyclohexyl)-2-phenylethenesulfonamide
CID 70606649
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
1-(bromomethyl)-1-(3-phenylprop-2-enoxymethyl)cycloheptane
CID 77052675
1-[(1-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 62373186
(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine
CID 71750264
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
CID 64573522
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine (CID 55060313) is 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine is CC1(NC/C=C/c2ccccc2)CCCCC1.
What is the InChIKey of 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine?
The InChIKey is VPSRBFILDVAZAT-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H23N/c1-16(12-6-3-7-13-16)17-14-8-11-15-9-4-2-5-10-15/h2,4-5,8-11,17H,3,6-7,12-14H2,1H3/b11-8+.
What are the key properties of 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine?
1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine is sourced from PubChem (CID 55060313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).