N-(2-morpholin-4-ylethyl)adamantan-2-amine

C16H28N2O — CID 742598

IUPACN-(2-morpholin-4-ylethyl)adamantan-2-amine
SMILESC(CN1CCOCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1(2-18-3-5-19-6-4-18)17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,1-11H2
InChIKeyBSUNWRLDTPWIDK-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.73
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)adamantan-2-amine

N-(2-morpholin-4-ylethyl)adamantan-2-amine (PubChem CID 742598) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)adamantan-2-amine
PubChem CID742598
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-morpholin-4-ylethyl)adamantan-2-amine
SMILESC(CN1CCOCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1(2-18-3-5-19-6-4-18)17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,1-11H2
InChIKeyBSUNWRLDTPWIDK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-morpholin-4-ylethyl)adamantan-2-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-(2-morpholin-4-ylethyl)adamantan-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)adamantan-2-amine (CID 742598) is N-(2-morpholin-4-ylethyl)adamantan-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)adamantan-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)adamantan-2-amine is C(CN1CCOCC1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-morpholin-4-ylethyl)adamantan-2-amine?
The InChIKey is BSUNWRLDTPWIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1(2-18-3-5-19-6-4-18)17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,1-11H2.
What are the key properties of N-(2-morpholin-4-ylethyl)adamantan-2-amine?
N-(2-morpholin-4-ylethyl)adamantan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)adamantan-2-amine is sourced from PubChem (CID 742598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).