N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

C14H25N3S — CID 115442731

IUPACN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCC(CN)(CNCCc2nccs2)CC1
InChIInChI=1S/C14H25N3S/c1-12-2-5-14(10-15,6-3-12)11-16-7-4-13-17-8-9-18-13/h8-9,12,16H,2-7,10-11,15H2,1H3
InChIKeyOEQGEYHXSAWNPR-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.43
Rot. Bonds6

About N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 115442731) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID115442731
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCC(CN)(CNCCc2nccs2)CC1
InChIInChI=1S/C14H25N3S/c1-12-2-5-14(10-15,6-3-12)11-16-7-4-13-17-8-9-18-13/h8-9,12,16H,2-7,10-11,15H2,1H3
InChIKeyOEQGEYHXSAWNPR-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine 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)cyclopropyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115453861
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115445024
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 81168800
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 114757524
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
CID 115457087
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 107069255

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 115442731) is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is CC1CCC(CN)(CNCCc2nccs2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is OEQGEYHXSAWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-2-5-14(10-15,6-3-12)11-16-7-4-13-17-8-9-18-13/h8-9,12,16H,2-7,10-11,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).