1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C16H28N2S — CID 104574977

IUPAC1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-12-11-19-15(18-12)10-17-9-13-5-7-14(8-6-13)16(2,3)4/h11,13-14,17H,5-10H2,1-4H3
InChIKeyKOEBTGJMALVOOI-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 104574977) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID104574977
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-12-11-19-15(18-12)10-17-9-13-5-7-14(8-6-13)16(2,3)4/h11,13-14,17H,5-10H2,1-4H3
InChIKeyKOEBTGJMALVOOI-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 61044328
1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992568
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992569
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
2-(2-cyclopentylethyl)-4-methyl-1,3-thiazole
CID 101058674
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-methyl-2-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115664534
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 116679709
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 104574977) is 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCC2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is KOEBTGJMALVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-11-19-15(18-12)10-17-9-13-5-7-14(8-6-13)16(2,3)4/h11,13-14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 280.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 104574977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).