N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine

C18H29N — CID 125466458

IUPACN-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
SMILESCCCCNC[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-19H,2-3,5,8-9,12-15H2,1H3/t18-/m0/s1
InChIKeySCSCQNIVXIKVGA-SFHVURJKSA-N
MW259.44 g/mol
LogP4.74
Rot. Bonds7

About N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine

N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine (PubChem CID 125466458) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
PubChem CID125466458
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
SMILESCCCCNC[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-19H,2-3,5,8-9,12-15H2,1H3/t18-/m0/s1
InChIKeySCSCQNIVXIKVGA-SFHVURJKSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
1-cyclobutylpentylbenzene
CID 90897767
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 82925286
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine (CID 125466458) is N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine is CCCCNC[C@@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine?
The InChIKey is SCSCQNIVXIKVGA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-14-19-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-19H,2-3,5,8-9,12-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine?
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine is sourced from PubChem (CID 125466458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).