amino N-(2-aminoethylamino)carbamate

C3H10N4O2 — CID 174869437

IUPACamino N-(2-aminoethylamino)carbamate
SMILESNCCNNC(=O)ON
InChIInChI=1S/C3H10N4O2/c4-1-2-6-7-3(8)9-5/h6H,1-2,4-5H2,(H,7,8)
InChIKeyIXICAMRAVJVLEK-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.95
Rot. Bonds3

About amino N-(2-aminoethylamino)carbamate

amino N-(2-aminoethylamino)carbamate (PubChem CID 174869437) has the molecular formula C3H10N4O2 and a molecular weight of 134.14 g/mol. Its IUPAC name is amino N-(2-aminoethylamino)carbamate.

Molecular Properties

Compound Nameamino N-(2-aminoethylamino)carbamate
PubChem CID174869437
Molecular FormulaC3H10N4O2
Molecular Weight134.14 g/mol
Exact Mass134.08
IUPAC Nameamino N-(2-aminoethylamino)carbamate
SMILESNCCNNC(=O)ON
InChIInChI=1S/C3H10N4O2/c4-1-2-6-7-3(8)9-5/h6H,1-2,4-5H2,(H,7,8)
InChIKeyIXICAMRAVJVLEK-UHFFFAOYSA-N
XLogP-1.95
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2-aminoethylamino)carbamate
CID 134311496
2,2-dihydroxyethyl N-[2-(2-aminoethylamino)ethylamino]carbamate
CID 57140941
amino N-(6-aminohexyl)carbamate
CID 174870719
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
ethyl N-(propylamino)carbamate
CID 88968739
(2-aminoethylamino) N-aminocarbamate
CID 174871175
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
amino 2-aminoacetate;zinc
CID 87197519
2-[2-(2-aminoethyl)hydrazinyl]ethanol
CID 87694422
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
amino N-pentylcarbamate
CID 87397923
3-O-(2-aminoethyl) 1-O-methyl propanedioate
CID 57313021

Frequently Asked Questions

What is the IUPAC name of amino N-(2-aminoethylamino)carbamate?
The IUPAC name of amino N-(2-aminoethylamino)carbamate (CID 174869437) is amino N-(2-aminoethylamino)carbamate.
What is the SMILES notation for amino N-(2-aminoethylamino)carbamate?
The canonical SMILES for amino N-(2-aminoethylamino)carbamate is NCCNNC(=O)ON.
What is the InChIKey of amino N-(2-aminoethylamino)carbamate?
The InChIKey is IXICAMRAVJVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O2/c4-1-2-6-7-3(8)9-5/h6H,1-2,4-5H2,(H,7,8).
What are the key properties of amino N-(2-aminoethylamino)carbamate?
amino N-(2-aminoethylamino)carbamate has a molecular weight of 134.14 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(2-aminoethylamino)carbamate is sourced from PubChem (CID 174869437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).