3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine

C14H29N5 — CID 79062167

IUPAC3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
SMILESCCn1ncnc1CC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(8-2,18(5)6)12(15-4)10-13-16-11-17-19(13)9-3/h11-12,15H,7-10H2,1-6H3
InChIKeyGMBWSTRDCWQXCQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.55
Rot. Bonds8

About 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine

3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine (PubChem CID 79062167) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
PubChem CID79062167
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
SMILESCCn1ncnc1CC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(8-2,18(5)6)12(15-4)10-13-16-11-17-19(13)9-3/h11-12,15H,7-10H2,1-6H3
InChIKeyGMBWSTRDCWQXCQ-UHFFFAOYSA-N
XLogP1.55
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine with MolForge

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Related Compounds

3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933
N,N,3-triethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydrazinylpentan-3-amine
CID 105242029
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylpentan-2-yl]hydrazine
CID 105241370
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-ol
CID 116752758
3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
CID 79063621
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine?
The IUPAC name of 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine (CID 79062167) is 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine is CCn1ncnc1CC(NC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine?
The InChIKey is GMBWSTRDCWQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-7-14(8-2,18(5)6)12(15-4)10-13-16-11-17-19(13)9-3/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine?
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine has a molecular weight of 267.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine is sourced from PubChem (CID 79062167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).