N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine

C13H21N — CID 513036

IUPACN-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine
SMILESCNC1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-14-12-7-13(12)10-3-8-2-9(5-10)6-11(13)4-8/h8-12,14H,2-7H2,1H3
InChIKeyXXQOTZBRCCQPND-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds1

About N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine

N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine (PubChem CID 513036) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine
PubChem CID513036
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine
SMILESCNC1CC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-14-12-7-13(12)10-3-8-2-9(5-10)6-11(13)4-8/h8-12,14H,2-7H2,1H3
InChIKeyXXQOTZBRCCQPND-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methylspiro[adamantane-2,2'-cyclopropane]-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-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The IUPAC name of N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine (CID 513036) is N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine is CNC1CC12C1CC3CC(C1)CC2C3.
What is the InChIKey of N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
The InChIKey is XXQOTZBRCCQPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-12-7-13(12)10-3-8-2-9(5-10)6-11(13)4-8/h8-12,14H,2-7H2,1H3.
What are the key properties of N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine?
N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine has a molecular weight of 191.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 513036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).