8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine

C19H30N2 — CID 114818114

IUPAC8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine
SMILESCc1ccccc1N(C)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C19H30N2/c1-16-7-3-4-8-17(16)21(2)19(15-20)13-11-18(12-14-19)9-5-6-10-18/h3-4,7-8H,5-6,9-15,20H2,1-2H3
InChIKeyQXAMRNKOQWWCDJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.26
Rot. Bonds3

About 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine

8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine (PubChem CID 114818114) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine
PubChem CID114818114
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine
SMILESCc1ccccc1N(C)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C19H30N2/c1-16-7-3-4-8-17(16)21(2)19(15-20)13-11-18(12-14-19)9-5-6-10-18/h3-4,7-8H,5-6,9-15,20H2,1-2H3
InChIKeyQXAMRNKOQWWCDJ-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-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 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine?
The IUPAC name of 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine (CID 114818114) is 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine is Cc1ccccc1N(C)C1(CN)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine?
The InChIKey is QXAMRNKOQWWCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-7-3-4-8-17(16)21(2)19(15-20)13-11-18(12-14-19)9-5-6-10-18/h3-4,7-8H,5-6,9-15,20H2,1-2H3.
What are the key properties of 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine?
8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine has a molecular weight of 286.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114818114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).