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

C13H25N3S — CID 62428614

IUPAC2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1cscn1
InChIInChI=1S/C13H25N3S/c1-5-6-14-7-13(11(2)3)16(4)8-12-9-17-10-15-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyHMJIODQYWDXFQX-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.60
Rot. Bonds8

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

2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (PubChem CID 62428614) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
PubChem CID62428614
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)Cc1cscn1
InChIInChI=1S/C13H25N3S/c1-5-6-14-7-13(11(2)3)16(4)8-12-9-17-10-15-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyHMJIODQYWDXFQX-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62425924
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
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
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine (CID 62428614) is 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is CCCNCC(C(C)C)N(C)Cc1cscn1.
What is the InChIKey of 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
The InChIKey is HMJIODQYWDXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-6-14-7-13(11(2)3)16(4)8-12-9-17-10-15-12/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine?
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62428614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).