2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine

C13H27N5 — CID 114213225

IUPAC2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1cnnn1CC
InChIInChI=1S/C13H27N5/c1-7-17(8-2)13(4,5)12(14-6)11-10-15-16-18(11)9-3/h10,12,14H,7-9H2,1-6H3
InChIKeySWFJWSNNXYXVMK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.68
Rot. Bonds7

About 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine

2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 114213225) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID114213225
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1cnnn1CC
InChIInChI=1S/C13H27N5/c1-7-17(8-2)13(4,5)12(14-6)11-10-15-16-18(11)9-3/h10,12,14H,7-9H2,1-6H3
InChIKeySWFJWSNNXYXVMK-UHFFFAOYSA-N
XLogP1.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114689248
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114687624
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
CID 115374759
2-N,2-N-diethyl-1-N,2-dimethyl-1-(1-propylimidazol-2-yl)propane-1,2-diamine
CID 79055749
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine (CID 114213225) is 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1cnnn1CC.
What is the InChIKey of 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SWFJWSNNXYXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-7-17(8-2)13(4,5)12(14-6)11-10-15-16-18(11)9-3/h10,12,14H,7-9H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine?
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114213225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).