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

C11H20N2S — CID 62529899

IUPAC2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1cscn1
InChIInChI=1S/C11H20N2S/c1-9(2)5-12-6-10(3)4-11-7-14-8-13-11/h7-10,12H,4-6H2,1-3H3
InChIKeyAQHIYHAKIVJWEF-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.57
Rot. Bonds6

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

2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 62529899) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID62529899
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1cscn1
InChIInChI=1S/C11H20N2S/c1-9(2)5-12-6-10(3)4-11-7-14-8-13-11/h7-10,12H,4-6H2,1-3H3
InChIKeyAQHIYHAKIVJWEF-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
(3S)-3-[[(2S)-2-methyl-3-(1,3-thiazol-4-yl)propyl]amino]butan-2-one
CID 143406082
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
CID 104682227
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
2-methyl-1-N-[2-(1,3-thiazol-4-yl)ethyl]heptane-1,6-diamine
CID 65296150
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine (CID 62529899) is 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine is CC(C)CNCC(C)Cc1cscn1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is AQHIYHAKIVJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)5-12-6-10(3)4-11-7-14-8-13-11/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 62529899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).