8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine

C18H28N2 — CID 114818195

IUPAC8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
SMILESCc1ccc(NC2(CN)CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)20-18(14-19)12-10-17(11-13-18)8-2-3-9-17/h4-7,20H,2-3,8-14,19H2,1H3
InChIKeySXVLVUGEQPCVHN-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.24
Rot. Bonds3

About 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine

8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine (PubChem CID 114818195) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
PubChem CID114818195
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
SMILESCc1ccc(NC2(CN)CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)20-18(14-19)12-10-17(11-13-18)8-2-3-9-17/h4-7,20H,2-3,8-14,19H2,1H3
InChIKeySXVLVUGEQPCVHN-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(aminomethyl)-N-(4-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

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
4-(aminomethyl)-N-(4-methylphenyl)thian-4-amine
CID 65378804
3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
CID 105474886
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
CID 63765978
1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
CID 90750604
N-[1-(aminomethyl)cyclopentyl]pyridin-4-amine
CID 63761781
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine?
The IUPAC name of 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine (CID 114818195) is 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine is Cc1ccc(NC2(CN)CCC3(CCCC3)CC2)cc1.
What is the InChIKey of 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine?
The InChIKey is SXVLVUGEQPCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-4-6-16(7-5-15)20-18(14-19)12-10-17(11-13-18)8-2-3-9-17/h4-7,20H,2-3,8-14,19H2,1H3.
What are the key properties of 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine?
8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine has a molecular weight of 272.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114818195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).