2-(1-adamantyl)-N,N-dimethylpropan-2-amine

C15H27N — CID 3010143

IUPAC2-(1-adamantyl)-N,N-dimethylpropan-2-amine
SMILESCN(C)C(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-14(2,16(3)4)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,5-10H2,1-4H3
InChIKeyJGJCKGVPZUEOSK-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.54
Rot. Bonds2

About 2-(1-adamantyl)-N,N-dimethylpropan-2-amine

2-(1-adamantyl)-N,N-dimethylpropan-2-amine (PubChem CID 3010143) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-N,N-dimethylpropan-2-amine
PubChem CID3010143
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(1-adamantyl)-N,N-dimethylpropan-2-amine
SMILESCN(C)C(C)(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N/c1-14(2,16(3)4)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,5-10H2,1-4H3
InChIKeyJGJCKGVPZUEOSK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-N,N-dimethylpropan-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 2-(1-adamantyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-(1-adamantyl)-N,N-dimethylpropan-2-amine (CID 3010143) is 2-(1-adamantyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-(1-adamantyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-(1-adamantyl)-N,N-dimethylpropan-2-amine is CN(C)C(C)(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N,N-dimethylpropan-2-amine?
The InChIKey is JGJCKGVPZUEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-14(2,16(3)4)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-(1-adamantyl)-N,N-dimethylpropan-2-amine?
2-(1-adamantyl)-N,N-dimethylpropan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 3010143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).