N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine

C17H25N — CID 113288150

IUPACN-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
SMILESC=C(CNC(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-14(16-9-5-3-6-10-16)13-18-15(2)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,1,4,7-8,11-13H2,2H3
InChIKeyYROMVSLYGMALBK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.26
Rot. Bonds5

About N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine

N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine (PubChem CID 113288150) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
PubChem CID113288150
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
SMILESC=C(CNC(C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-14(16-9-5-3-6-10-16)13-18-15(2)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,1,4,7-8,11-13H2,2H3
InChIKeyYROMVSLYGMALBK-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
N-(2-phenylprop-2-enyl)cyclopropanamine
CID 18333838
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
ethyl (3S,4R)-4-(benzenesulfonyl)-5-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3-phenylhex-5-enoate
CID 100955917
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine (CID 113288150) is N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine is C=C(CNC(C)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine?
The InChIKey is YROMVSLYGMALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(16-9-5-3-6-10-16)13-18-15(2)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,1,4,7-8,11-13H2,2H3.
What are the key properties of N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine?
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 113288150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).