4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

C15H26N2S — CID 65086224

IUPAC4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3
InChIKeyFAQZGOXYFCORKW-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.41
Rot. Bonds2

About 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65086224) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65086224
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3
InChIKeyFAQZGOXYFCORKW-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 106873361
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
CID 54979966
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 80699456
3,3-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 80699573
1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
CID 61338835
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574
6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632749
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65086224) is 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is CC(C)c1csc(C2(N)CCCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is FAQZGOXYFCORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)12-10-18-13(17-12)15(16)7-5-6-14(3,4)8-9-15/h10-11H,5-9,16H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.41, 2 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-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65086224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).