N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

C16H28N2S — CID 64746656

IUPACN-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C)C(C)C1
InChIInChI=1S/C16H28N2S/c1-6-17-16(8-7-12(4)13(5)9-16)15-18-14(10-19-15)11(2)3/h10-13,17H,6-9H2,1-5H3
InChIKeyGNGVKAPENPLYPO-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds4

About N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 64746656) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID64746656
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C)C(C)C1
InChIInChI=1S/C16H28N2S/c1-6-17-16(8-7-12(4)13(5)9-16)15-18-14(10-19-15)11(2)3/h10-13,17H,6-9H2,1-5H3
InChIKeyGNGVKAPENPLYPO-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 64746656) is N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is CCNC1(c2nc(C(C)C)cs2)CCC(C)C(C)C1.
What is the InChIKey of N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is GNGVKAPENPLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-17-16(8-7-12(4)13(5)9-16)15-18-14(10-19-15)11(2)3/h10-13,17H,6-9H2,1-5H3.
What are the key properties of N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64746656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).