N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine

C14H24N2S — CID 103787170

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCc1cnc(CNC2CCCCC2(C)C)s1
InChIInChI=1S/C14H24N2S/c1-4-11-9-16-13(17-11)10-15-12-7-5-6-8-14(12,2)3/h9,12,15H,4-8,10H2,1-3H3
InChIKeyLEOVMNCMUBONRB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.76
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 103787170) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID103787170
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCc1cnc(CNC2CCCCC2(C)C)s1
InChIInChI=1S/C14H24N2S/c1-4-11-9-16-13(17-11)10-15-12-7-5-6-8-14(12,2)3/h9,12,15H,4-8,10H2,1-3H3
InChIKeyLEOVMNCMUBONRB-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 79861333
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79836256
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
1-(2,2-dimethylcyclopropyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119139820
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
CID 99580177

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 103787170) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine is CCc1cnc(CNC2CCCCC2(C)C)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is LEOVMNCMUBONRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11-9-16-13(17-11)10-15-12-7-5-6-8-14(12,2)3/h9,12,15H,4-8,10H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103787170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).