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

C17H30N2S — CID 83151196

IUPACN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H30N2S/c1-12(2)17(6,11-18-13-7-8-13)9-15-19-14(10-20-15)16(3,4)5/h10,12-13,18H,7-9,11H2,1-6H3
InChIKeyLEXNNZJLDJCPJG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.40
Rot. Bonds6

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

N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 83151196) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID83151196
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H30N2S/c1-12(2)17(6,11-18-13-7-8-13)9-15-19-14(10-20-15)16(3,4)5/h10,12-13,18H,7-9,11H2,1-6H3
InChIKeyLEXNNZJLDJCPJG-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 83151196) is N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is LEXNNZJLDJCPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-12(2)17(6,11-18-13-7-8-13)9-15-19-14(10-20-15)16(3,4)5/h10,12-13,18H,7-9,11H2,1-6H3.
What are the key properties of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 294.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83151196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).