N-[1-(1-adamantyl)ethyl]cyclohexanamine

C18H31N — CID 11777452

IUPACN-[1-(1-adamantyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N/c1-13(19-17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,2-12H2,1H3
InChIKeyWBANHPOSJCKSNP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.51
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]cyclohexanamine

N-[1-(1-adamantyl)ethyl]cyclohexanamine (PubChem CID 11777452) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]cyclohexanamine
PubChem CID11777452
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-(1-adamantyl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N/c1-13(19-17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,2-12H2,1H3
InChIKeyWBANHPOSJCKSNP-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(1-adamantyl)ethyl]cyclohexanamine 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-[1-(1-adamantyl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]cyclohexanamine (CID 11777452) is N-[1-(1-adamantyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]cyclohexanamine is CC(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]cyclohexanamine?
The InChIKey is WBANHPOSJCKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13(19-17-5-3-2-4-6-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,2-12H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]cyclohexanamine?
N-[1-(1-adamantyl)ethyl]cyclohexanamine has a molecular weight of 261.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]cyclohexanamine is sourced from PubChem (CID 11777452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).