3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

C14H26N2S — CID 83139055

IUPAC3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cscn1)C(C)(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)7-15-8-12(14(3,4)5)6-13-9-17-10-16-13/h9-12,15H,6-8H2,1-5H3
InChIKeyKOOIWGJBYCNNCR-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.59
Rot. Bonds6

About 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 83139055) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID83139055
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cscn1)C(C)(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)7-15-8-12(14(3,4)5)6-13-9-17-10-16-13/h9-12,15H,6-8H2,1-5H3
InChIKeyKOOIWGJBYCNNCR-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83142562
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372
2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83141535
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138954

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 83139055) is 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)CNCC(Cc1cscn1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is KOOIWGJBYCNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)7-15-8-12(14(3,4)5)6-13-9-17-10-16-13/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 83139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).