sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride

C4H15N4Na — CID 174670216

IUPACsodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride
SMILESNCCNC(N)CN.[H-].[Na+]
InChIInChI=1S/C4H14N4.Na.H/c5-1-2-8-4(7)3-6;;/h4,8H,1-3,5-7H2;;/q;+1;-1
InChIKeyFVPROPBUPSVKHB-UHFFFAOYSA-N
MW142.18 g/mol
LogP-5.11
Rot. Bonds4

About sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride

sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride (PubChem CID 174670216) has the molecular formula C4H15N4Na and a molecular weight of 142.18 g/mol. Its IUPAC name is sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride.

Molecular Properties

Compound Namesodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride
PubChem CID174670216
Molecular FormulaC4H15N4Na
Molecular Weight142.18 g/mol
Exact Mass142.12
IUPAC Namesodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride
SMILESNCCNC(N)CN.[H-].[Na+]
InChIInChI=1S/C4H14N4.Na.H/c5-1-2-8-4(7)3-6;;/h4,8H,1-3,5-7H2;;/q;+1;-1
InChIKeyFVPROPBUPSVKHB-UHFFFAOYSA-N
XLogP-5.11
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-5.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydrate
CID 87385834
1-N'-decylethane-1,1,2-triamine
CID 57125344
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
1-N'-(6-aminohexyl)hexane-1,1,6-triamine
CID 123601298
1-amino-2-(2-aminoethylamino)propane-1,3-diol
CID 91174752
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
disodium;1,2-diaminoethanol;hydride
CID 175201156
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
CID 172753617
CID 172753617
1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
CID 89404762

Frequently Asked Questions

What is the IUPAC name of sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride?
The IUPAC name of sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride (CID 174670216) is sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride.
What is the SMILES notation for sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride?
The canonical SMILES for sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride is NCCNC(N)CN.[H-].[Na+].
What is the InChIKey of sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride?
The InChIKey is FVPROPBUPSVKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4.Na.H/c5-1-2-8-4(7)3-6;;/h4,8H,1-3,5-7H2;;/q;+1;-1.
What are the key properties of sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride?
sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride has a molecular weight of 142.18 g/mol, XLogP of -5.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydride is sourced from PubChem (CID 174670216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).