3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine

C15H31N5 — CID 79053430

IUPAC3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
SMILESCCCNC(Cc1ncnn1CCC)C(C)(C)N(C)C
InChIInChI=1S/C15H31N5/c1-7-9-16-13(15(3,4)19(5)6)11-14-17-12-18-20(14)10-8-2/h12-13,16H,7-11H2,1-6H3
InChIKeyVZICADIAIBANPK-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.94
Rot. Bonds9

About 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine

3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine (PubChem CID 79053430) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
PubChem CID79053430
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
SMILESCCCNC(Cc1ncnn1CCC)C(C)(C)N(C)C
InChIInChI=1S/C15H31N5/c1-7-9-16-13(15(3,4)19(5)6)11-14-17-12-18-20(14)10-8-2/h12-13,16H,7-11H2,1-6H3
InChIKeyVZICADIAIBANPK-UHFFFAOYSA-N
XLogP1.94
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine with MolForge

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Related Compounds

3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115336951
1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003171
N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105162517

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine (CID 79053430) is 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine is CCCNC(Cc1ncnn1CCC)C(C)(C)N(C)C.
What is the InChIKey of 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
The InChIKey is VZICADIAIBANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-7-9-16-13(15(3,4)19(5)6)11-14-17-12-18-20(14)10-8-2/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine?
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine has a molecular weight of 281.45 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine is sourced from PubChem (CID 79053430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).