N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine

C18H27NO — CID 43099675

IUPACN-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H27NO/c1-2-20-15-9-14-19-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-3,5-6,10-11,17-19H,1,4,7-9,12-15H2
InChIKeyQNHBIGOZZNMCTB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.45
Rot. Bonds8

About N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine

N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine (PubChem CID 43099675) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
PubChem CID43099675
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H27NO/c1-2-20-15-9-14-19-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-3,5-6,10-11,17-19H,1,4,7-9,12-15H2
InChIKeyQNHBIGOZZNMCTB-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
CID 43100461
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
1-cyclohexyl-N-(2-methoxyethoxy)-1-phenylmethanamine
CID 82715212

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine (CID 43099675) is N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine is C=COCCCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
The InChIKey is QNHBIGOZZNMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-20-15-9-14-19-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-3,5-6,10-11,17-19H,1,4,7-9,12-15H2.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine?
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).