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

C18H30N2S — CID 107449642

IUPACN-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)c1csc(C2(NC3CC3)CCCC(C(C)C)C2)n1
InChIInChI=1S/C18H30N2S/c1-12(2)14-6-5-9-18(10-14,20-15-7-8-15)17-19-16(11-21-17)13(3)4/h11-15,20H,5-10H2,1-4H3
InChIKeyPJAMYWSYWIGPOR-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.06
Rot. Bonds5

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

N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 107449642) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID107449642
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)c1csc(C2(NC3CC3)CCCC(C(C)C)C2)n1
InChIInChI=1S/C18H30N2S/c1-12(2)14-6-5-9-18(10-14,20-15-7-8-15)17-19-16(11-21-17)13(3)4/h11-15,20H,5-10H2,1-4H3
InChIKeyPJAMYWSYWIGPOR-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 107449642) is N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is CC(C)c1csc(C2(NC3CC3)CCCC(C(C)C)C2)n1.
What is the InChIKey of N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is PJAMYWSYWIGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-12(2)14-6-5-9-18(10-14,20-15-7-8-15)17-19-16(11-21-17)13(3)4/h11-15,20H,5-10H2,1-4H3.
What are the key properties of N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 107449642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).