N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine

C18H30N2S — CID 81304328

IUPACN-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCCc1nc(C2(NC3CC3)CCC(C)(C)CC2C)sc1C
InChIInChI=1S/C18H30N2S/c1-6-15-13(3)21-16(19-15)18(20-14-7-8-14)10-9-17(4,5)11-12(18)2/h12,14,20H,6-11H2,1-5H3
InChIKeyRTFHSFVKRNHYMC-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.81
Rot. Bonds4

About N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine

N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81304328) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81304328
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCCc1nc(C2(NC3CC3)CCC(C)(C)CC2C)sc1C
InChIInChI=1S/C18H30N2S/c1-6-15-13(3)21-16(19-15)18(20-14-7-8-14)10-9-17(4,5)11-12(18)2/h12,14,20H,6-11H2,1-5H3
InChIKeyRTFHSFVKRNHYMC-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
CID 114501753
N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dimethylcyclohexan-1-amine
CID 64755196
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65044835
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045363
N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
CID 61334084
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine
CID 64755391
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 62543641
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746458
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
CID 106873373
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 61333258
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81314438
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
CID 82717311

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine (CID 81304328) is N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine is CCc1nc(C2(NC3CC3)CCC(C)(C)CC2C)sc1C.
What is the InChIKey of N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is RTFHSFVKRNHYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-6-15-13(3)21-16(19-15)18(20-14-7-8-14)10-9-17(4,5)11-12(18)2/h12,14,20H,6-11H2,1-5H3.
What are the key properties of N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81304328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).