N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine

C16H26N2S — CID 64751318

IUPACN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCc1nc(C2(NC3CC3)CC(C)CC(C)C2)sc1C
InChIInChI=1S/C16H26N2S/c1-10-7-11(2)9-16(8-10,18-14-5-6-14)15-17-12(3)13(4)19-15/h10-11,14,18H,5-9H2,1-4H3
InChIKeyRBNXDWZKJSQLAL-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.16
Rot. Bonds3

About N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine

N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751318) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64751318
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCc1nc(C2(NC3CC3)CC(C)CC(C)C2)sc1C
InChIInChI=1S/C16H26N2S/c1-10-7-11(2)9-16(8-10,18-14-5-6-14)15-17-12(3)13(4)19-15/h10-11,14,18H,5-9H2,1-4H3
InChIKeyRBNXDWZKJSQLAL-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64515722
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753485
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
CID 82717311
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthian-3-amine
CID 79951460
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3,4-dimethylcyclohexan-1-amine
CID 64746457
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
CID 130554851
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclohexan-1-amine
CID 107449614
N-cyclopropyl-3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563943
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylcyclopentan-1-amine
CID 64513598
N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 64513827
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine (CID 64751318) is N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine is Cc1nc(C2(NC3CC3)CC(C)CC(C)C2)sc1C.
What is the InChIKey of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is RBNXDWZKJSQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-10-7-11(2)9-16(8-10,18-14-5-6-14)15-17-12(3)13(4)19-15/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine?
N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).