N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine

C14H24N2S — CID 61335272

IUPACN-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
SMILESCC(C)CC(NC1CC1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2S/c1-9(2)7-12(15-11-5-6-11)14-16-13(8-17-14)10(3)4/h8-12,15H,5-7H2,1-4H3
InChIKeyHZYLVBMDOXBGHJ-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.11
Rot. Bonds6

About N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine

N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine (PubChem CID 61335272) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
PubChem CID61335272
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
SMILESCC(C)CC(NC1CC1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H24N2S/c1-9(2)7-12(15-11-5-6-11)14-16-13(8-17-14)10(3)4/h8-12,15H,5-7H2,1-4H3
InChIKeyHZYLVBMDOXBGHJ-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61331753
1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 75515910
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335850
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
N-methyl-3-methylsulfanyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331155
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-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
CID 106676115
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-yl]cyclopropanamine
CID 61335656
N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
CID 55128930

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine (CID 61335272) is N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine is CC(C)CC(NC1CC1)c1nc(C(C)C)cs1.
What is the InChIKey of N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine?
The InChIKey is HZYLVBMDOXBGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(2)7-12(15-11-5-6-11)14-16-13(8-17-14)10(3)4/h8-12,15H,5-7H2,1-4H3.
What are the key properties of N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine?
N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine has a molecular weight of 252.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 61335272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).