(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine

C21H35NO — CID 10710619

IUPAC(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
SMILESCCCC[C@@H](NO[C@H](CCC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H35NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h7,10-11,15-16,18,20-22H,3-6,8-9,12-14,17H2,1-2H3/t20-,21-/m1/s1
InChIKeyICBWIMISKZLTBJ-NHCUHLMSSA-N
MW317.52 g/mol
LogP6.19
Rot. Bonds10

About (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine

(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine (PubChem CID 10710619) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
PubChem CID10710619
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
SMILESCCCC[C@@H](NO[C@H](CCC)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H35NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h7,10-11,15-16,18,20-22H,3-6,8-9,12-14,17H2,1-2H3/t20-,21-/m1/s1
InChIKeyICBWIMISKZLTBJ-NHCUHLMSSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylpentyl)cycloheptanamine
CID 43767069
1-cyclobutylpentylbenzene
CID 90897767
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
3-methyl-1-phenyl-N-[(1R)-1-phenylbutoxy]butan-2-amine
CID 101004920
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
1-cyclohexylpentan-2-ylbenzene
CID 139744385
(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine
CID 10912755
(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine
CID 101212624
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine
CID 11129540
[cyclohexyl(propoxy)methyl]benzene
CID 155279791
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine (CID 10710619) is (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine is CCCC[C@@H](NO[C@H](CCC)c1ccccc1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine?
The InChIKey is ICBWIMISKZLTBJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H35NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h7,10-11,15-16,18,20-22H,3-6,8-9,12-14,17H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine?
(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine has a molecular weight of 317.52 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine is sourced from PubChem (CID 10710619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).