2-aminoethylcarbamic acid;ethane-1,2-diamine

C5H16N4O2 — CID 173123668

IUPAC2-aminoethylcarbamic acid;ethane-1,2-diamine
SMILESNCCN.NCCNC(=O)O
InChIInChI=1S/C3H8N2O2.C2H8N2/c4-1-2-5-3(6)7;3-1-2-4/h5H,1-2,4H2,(H,6,7);1-4H2
InChIKeyYJHMHCWNQNZUNR-UHFFFAOYSA-N
MW164.21 g/mol
LogP-1.88
Rot. Bonds3

About 2-aminoethylcarbamic acid;ethane-1,2-diamine

2-aminoethylcarbamic acid;ethane-1,2-diamine (PubChem CID 173123668) has the molecular formula C5H16N4O2 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-aminoethylcarbamic acid;ethane-1,2-diamine.

Molecular Properties

Compound Name2-aminoethylcarbamic acid;ethane-1,2-diamine
PubChem CID173123668
Molecular FormulaC5H16N4O2
Molecular Weight164.21 g/mol
Exact Mass164.13
IUPAC Name2-aminoethylcarbamic acid;ethane-1,2-diamine
SMILESNCCN.NCCNC(=O)O
InChIInChI=1S/C3H8N2O2.C2H8N2/c4-1-2-5-3(6)7;3-1-2-4/h5H,1-2,4H2,(H,6,7);1-4H2
InChIKeyYJHMHCWNQNZUNR-UHFFFAOYSA-N
XLogP-1.88
TPSA127.39 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3023499
2-aminoethylcarbamic acid;toluene
CID 70566419
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
aminomethylcarbamic acid
CID 90118648
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
aminomethylcarbamic acid;hydrochloride
CID 90118647
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
CID 88542577
CID 160895097
CID 160895097
(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
CID 88560270

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylcarbamic acid;ethane-1,2-diamine?
The IUPAC name of 2-aminoethylcarbamic acid;ethane-1,2-diamine (CID 173123668) is 2-aminoethylcarbamic acid;ethane-1,2-diamine.
What is the SMILES notation for 2-aminoethylcarbamic acid;ethane-1,2-diamine?
The canonical SMILES for 2-aminoethylcarbamic acid;ethane-1,2-diamine is NCCN.NCCNC(=O)O.
What is the InChIKey of 2-aminoethylcarbamic acid;ethane-1,2-diamine?
The InChIKey is YJHMHCWNQNZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2.C2H8N2/c4-1-2-5-3(6)7;3-1-2-4/h5H,1-2,4H2,(H,6,7);1-4H2.
What are the key properties of 2-aminoethylcarbamic acid;ethane-1,2-diamine?
2-aminoethylcarbamic acid;ethane-1,2-diamine has a molecular weight of 164.21 g/mol, XLogP of -1.88, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylcarbamic acid;ethane-1,2-diamine is sourced from PubChem (CID 173123668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).