N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C14H25N3S — CID 66390375

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1csc(CCN)n1
InChIInChI=1S/C14H25N3S/c1-11-5-3-4-6-13(11)17(2)9-12-10-18-14(16-12)7-8-15/h10-11,13H,3-9,15H2,1-2H3
InChIKeyQBNVJKXWSPVPRO-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.65
Rot. Bonds5

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 66390375) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID66390375
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1csc(CCN)n1
InChIInChI=1S/C14H25N3S/c1-11-5-3-4-6-13(11)17(2)9-12-10-18-14(16-12)7-8-15/h10-11,13H,3-9,15H2,1-2H3
InChIKeyQBNVJKXWSPVPRO-UHFFFAOYSA-N
XLogP2.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 55005181
2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386282
N-[(6-chloro-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79046170
5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazin-2-amine
CID 103056084
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66387083
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 66390375) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1csc(CCN)n1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is QBNVJKXWSPVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11-5-3-4-6-13(11)17(2)9-12-10-18-14(16-12)7-8-15/h10-11,13H,3-9,15H2,1-2H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66390375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).