N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine

C17H25N — CID 65009225

IUPACN-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C17H25N/c1-14(2)18-13-17(15-7-4-3-5-8-15)11-16(12-17)9-6-10-16/h3-5,7-8,14,18H,6,9-13H2,1-2H3
InChIKeyABIQNOCGXQHTRE-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.89
Rot. Bonds4

About N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine

N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine (PubChem CID 65009225) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
PubChem CID65009225
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C17H25N/c1-14(2)18-13-17(15-7-4-3-5-8-15)11-16(12-17)9-6-10-16/h3-5,7-8,14,18H,6,9-13H2,1-2H3
InChIKeyABIQNOCGXQHTRE-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-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-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine (CID 65009225) is N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine is CC(C)NCC1(c2ccccc2)CC2(CCC2)C1.
What is the InChIKey of N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine?
The InChIKey is ABIQNOCGXQHTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)18-13-17(15-7-4-3-5-8-15)11-16(12-17)9-6-10-16/h3-5,7-8,14,18H,6,9-13H2,1-2H3.
What are the key properties of N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine?
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 65009225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).