4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine

C16H28N2S — CID 63242595

IUPAC4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCc2nccs2)CC1
InChIInChI=1S/C16H28N2S/c1-4-16(2,3)13-5-7-14(8-6-13)17-10-9-15-18-11-12-19-15/h11-14,17H,4-10H2,1-3H3
InChIKeyMKOQLAPKLFUYPE-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.27
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 63242595) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID63242595
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCc2nccs2)CC1
InChIInChI=1S/C16H28N2S/c1-4-16(2,3)13-5-7-14(8-6-13)17-10-9-15-18-11-12-19-15/h11-14,17H,4-10H2,1-3H3
InChIKeyMKOQLAPKLFUYPE-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine (CID 63242595) is 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCc2nccs2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is MKOQLAPKLFUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-16(2,3)13-5-7-14(8-6-13)17-10-9-15-18-11-12-19-15/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63242595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).