1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

C15H27N3S — CID 64762742

IUPAC1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CN(C)C2(CN)CCCC(C)C2C)cs1
InChIInChI=1S/C15H27N3S/c1-11-6-5-7-15(10-16,12(11)2)18(4)8-14-9-19-13(3)17-14/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyYDFNAXNWWGFNJX-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.04
Rot. Bonds4

About 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 64762742) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID64762742
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CN(C)C2(CN)CCCC(C)C2C)cs1
InChIInChI=1S/C15H27N3S/c1-11-6-5-7-15(10-16,12(11)2)18(4)8-14-9-19-13(3)17-14/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyYDFNAXNWWGFNJX-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-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

Related Compounds

1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 55160852
2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 131162805
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
[3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutyl]methanamine
CID 164652953
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 65045314
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
1-(2-amino-1-methylcyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116607340
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 66390375

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (CID 64762742) is 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is Cc1nc(CN(C)C2(CN)CCCC(C)C2C)cs1.
What is the InChIKey of 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is YDFNAXNWWGFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-6-5-7-15(10-16,12(11)2)18(4)8-14-9-19-13(3)17-14/h9,11-12H,5-8,10,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64762742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).