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

C12H25N5 — CID 114222476

IUPAC2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCn1nncc1NC(CC(C)C)CN(C)C
InChIInChI=1S/C12H25N5/c1-6-17-12(8-13-15-17)14-11(7-10(2)3)9-16(4)5/h8,10-11,14H,6-7,9H2,1-5H3
InChIKeySPXCSPYXRBPCAU-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.69
Rot. Bonds7

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

2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 114222476) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID114222476
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCn1nncc1NC(CC(C)C)CN(C)C
InChIInChI=1S/C12H25N5/c1-6-17-12(8-13-15-17)14-11(7-10(2)3)9-16(4)5/h8,10-11,14H,6-7,9H2,1-5H3
InChIKeySPXCSPYXRBPCAU-UHFFFAOYSA-N
XLogP1.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 114222476) is 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCn1nncc1NC(CC(C)C)CN(C)C.
What is the InChIKey of 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is SPXCSPYXRBPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-6-17-12(8-13-15-17)14-11(7-10(2)3)9-16(4)5/h8,10-11,14H,6-7,9H2,1-5H3.
What are the key properties of 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 239.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 114222476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).