4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine

C16H28N2S — CID 65085574

IUPAC4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
SMILESCc1csc(C2(NC(C)C)CCCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-12(2)18-16(14-17-13(3)11-19-14)8-6-7-15(4,5)9-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyHRJRPGKNZSNHBC-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.64
Rot. Bonds3

About 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine

4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65085574) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
PubChem CID65085574
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
SMILESCc1csc(C2(NC(C)C)CCCC(C)(C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-12(2)18-16(14-17-13(3)11-19-14)8-6-7-15(4,5)9-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyHRJRPGKNZSNHBC-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine (CID 65085574) is 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine is Cc1csc(C2(NC(C)C)CCCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is HRJRPGKNZSNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)18-16(14-17-13(3)11-19-14)8-6-7-15(4,5)9-10-16/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine?
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65085574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).