1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine

C14H27N3S — CID 62425924

IUPAC1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)Cc1cscn1
InChIInChI=1S/C14H27N3S/c1-11(2)13(7-16-14(3,4)5)17(6)8-12-9-18-10-15-12/h9-11,13,16H,7-8H2,1-6H3
InChIKeyZIFCEHDIIHGWJG-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.99
Rot. Bonds6

About 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine

1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (PubChem CID 62425924) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
PubChem CID62425924
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)Cc1cscn1
InChIInChI=1S/C14H27N3S/c1-11(2)13(7-16-14(3,4)5)17(6)8-12-9-18-10-15-12/h9-11,13,16H,7-8H2,1-6H3
InChIKeyZIFCEHDIIHGWJG-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
N-tert-butyl-2,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83150869
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62425932

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (CID 62425924) is 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is CC(C)C(CNC(C)(C)C)N(C)Cc1cscn1.
What is the InChIKey of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The InChIKey is ZIFCEHDIIHGWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(2)13(7-16-14(3,4)5)17(6)8-12-9-18-10-15-12/h9-11,13,16H,7-8H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62425924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).