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

C14H24N2S — CID 83150850

IUPACN-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
SMILESCc1csc(CC(C)(CNC2CC2)C(C)C)n1
InChIInChI=1S/C14H24N2S/c1-10(2)14(4,9-15-12-5-6-12)7-13-16-11(3)8-17-13/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyNJRJVSZKYIPGPW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.41
Rot. Bonds6

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

N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine (PubChem CID 83150850) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
PubChem CID83150850
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
SMILESCc1csc(CC(C)(CNC2CC2)C(C)C)n1
InChIInChI=1S/C14H24N2S/c1-10(2)14(4,9-15-12-5-6-12)7-13-16-11(3)8-17-13/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyNJRJVSZKYIPGPW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 79817647
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 63238570
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
CID 107053558
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine (CID 83150850) is N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine is Cc1csc(CC(C)(CNC2CC2)C(C)C)n1.
What is the InChIKey of N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine?
The InChIKey is NJRJVSZKYIPGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)14(4,9-15-12-5-6-12)7-13-16-11(3)8-17-13/h8,10,12,15H,5-7,9H2,1-4H3.
What are the key properties of N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine?
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine has a molecular weight of 252.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 83150850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).