N-[(1R)-1-cyclohexylethyl]octan-1-amine

C16H33N — CID 81384579

IUPACN-[(1R)-1-cyclohexylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-11-14-17-15(2)16-12-9-8-10-13-16/h15-17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyCYLSWIPGNVWFLQ-OAHLLOKOSA-N
MW239.45 g/mol
LogP4.91
Rot. Bonds9

About N-[(1R)-1-cyclohexylethyl]octan-1-amine

N-[(1R)-1-cyclohexylethyl]octan-1-amine (PubChem CID 81384579) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]octan-1-amine
PubChem CID81384579
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(1R)-1-cyclohexylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-3-4-5-6-7-11-14-17-15(2)16-12-9-8-10-13-16/h15-17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyCYLSWIPGNVWFLQ-OAHLLOKOSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-cyclohexylethyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]octan-1-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]octan-1-amine (CID 81384579) is N-[(1R)-1-cyclohexylethyl]octan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]octan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]octan-1-amine is CCCCCCCCN[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]octan-1-amine?
The InChIKey is CYLSWIPGNVWFLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H33N/c1-3-4-5-6-7-11-14-17-15(2)16-12-9-8-10-13-16/h15-17H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]octan-1-amine?
N-[(1R)-1-cyclohexylethyl]octan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]octan-1-amine is sourced from PubChem (CID 81384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).