N'-ethylethane-1,2-diamine;hydron

C4H13N2+ — CID 174552043

IUPACN'-ethylethane-1,2-diamine;hydron
SMILESCCNCCN.[H+]
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-O
MW89.16 g/mol
LogP-0.33
Rot. Bonds3

About N'-ethylethane-1,2-diamine;hydron

N'-ethylethane-1,2-diamine;hydron (PubChem CID 174552043) has the molecular formula C4H13N2+ and a molecular weight of 89.16 g/mol. Its IUPAC name is N'-ethylethane-1,2-diamine;hydron.

Molecular Properties

Compound NameN'-ethylethane-1,2-diamine;hydron
PubChem CID174552043
Molecular FormulaC4H13N2+
Molecular Weight89.16 g/mol
Exact Mass89.11
IUPAC NameN'-ethylethane-1,2-diamine;hydron
SMILESCCNCCN.[H+]
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-O
XLogP-0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethylethane-1,2-diamine;hydron?
The IUPAC name of N'-ethylethane-1,2-diamine;hydron (CID 174552043) is N'-ethylethane-1,2-diamine;hydron.
What is the SMILES notation for N'-ethylethane-1,2-diamine;hydron?
The canonical SMILES for N'-ethylethane-1,2-diamine;hydron is CCNCCN.[H+].
What is the InChIKey of N'-ethylethane-1,2-diamine;hydron?
The InChIKey is SCZVXVGZMZRGRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+1.
What are the key properties of N'-ethylethane-1,2-diamine;hydron?
N'-ethylethane-1,2-diamine;hydron has a molecular weight of 89.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylethane-1,2-diamine;hydron is sourced from PubChem (CID 174552043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).