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

C12H22N2S — CID 61333650

IUPACN-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-6-10(13-9(4)5)12-14-11(7-15-12)8(2)3/h7-10,13H,6H2,1-5H3
InChIKeyNHVONFDSPASRBZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.72
Rot. Bonds5

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

N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 61333650) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID61333650
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C12H22N2S/c1-6-10(13-9(4)5)12-14-11(7-15-12)8(2)3/h7-10,13H,6H2,1-5H3
InChIKeyNHVONFDSPASRBZ-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116504477
2-ethyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 61334636
N-[(4-ethylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334433
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)octan-1-amine
CID 61330560
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622
N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331155
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
CID 61347725
2-(3-methylheptan-4-yl)-4-propan-2-yl-1,3-thiazole
CID 123588816
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66133298
N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
CID 61335272
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 61333650) is N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is CCC(NC(C)C)c1nc(C(C)C)cs1.
What is the InChIKey of N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is NHVONFDSPASRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-6-10(13-9(4)5)12-14-11(7-15-12)8(2)3/h7-10,13H,6H2,1-5H3.
What are the key properties of N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 61333650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).