2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

C14H24N2S — CID 79846998

IUPAC2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCCCC1(C)C
InChIInChI=1S/C14H24N2S/c1-4-9-16-14(12-15-10-11-17-12)8-6-5-7-13(14,2)3/h10-11,16H,4-9H2,1-3H3
InChIKeyMHRNWSCBAJBTAG-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.94
Rot. Bonds4

About 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 79846998) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID79846998
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCCCC1(C)C
InChIInChI=1S/C14H24N2S/c1-4-9-16-14(12-15-10-11-17-12)8-6-5-7-13(14,2)3/h10-11,16H,4-9H2,1-3H3
InChIKeyMHRNWSCBAJBTAG-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (CID 79846998) is 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is CCCNC1(c2nccs2)CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is MHRNWSCBAJBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-9-16-14(12-15-10-11-17-12)8-6-5-7-13(14,2)3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79846998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).