N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C18H32N2S — CID 104842098

IUPACN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(C2CCC(C)(C)CC2)sc1CNCC(C)C
InChIInChI=1S/C18H32N2S/c1-6-15-16(12-19-11-13(2)3)21-17(20-15)14-7-9-18(4,5)10-8-14/h13-14,19H,6-12H2,1-5H3
InChIKeyULMUOHUIPABLCI-UHFFFAOYSA-N
MW308.53 g/mol
LogP5.13
Rot. Bonds6

About N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104842098) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID104842098
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC NameN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(C2CCC(C)(C)CC2)sc1CNCC(C)C
InChIInChI=1S/C18H32N2S/c1-6-15-16(12-19-11-13(2)3)21-17(20-15)14-7-9-18(4,5)10-8-14/h13-14,19H,6-12H2,1-5H3
InChIKeyULMUOHUIPABLCI-UHFFFAOYSA-N
XLogP5.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
N-[[4-ethyl-2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842108
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842100
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63219194
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
N-[[4-ethyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82429387
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 104842098) is N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(C2CCC(C)(C)CC2)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ULMUOHUIPABLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-15-16(12-19-11-13(2)3)21-17(20-15)14-7-9-18(4,5)10-8-14/h13-14,19H,6-12H2,1-5H3.
What are the key properties of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104842098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).