bis(2-aminoethyl)carbamic acid

C5H13N3O2 — CID 87605619

IUPACbis(2-aminoethyl)carbamic acid
SMILESNCCN(CCN)C(=O)O
InChIInChI=1S/C5H13N3O2/c6-1-3-8(4-2-7)5(9)10/h1-4,6-7H2,(H,9,10)
InChIKeyGUAGHTMCGMYUBF-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.12
Rot. Bonds4

About bis(2-aminoethyl)carbamic acid

bis(2-aminoethyl)carbamic acid (PubChem CID 87605619) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is bis(2-aminoethyl)carbamic acid.

Molecular Properties

Compound Namebis(2-aminoethyl)carbamic acid
PubChem CID87605619
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Namebis(2-aminoethyl)carbamic acid
SMILESNCCN(CCN)C(=O)O
InChIInChI=1S/C5H13N3O2/c6-1-3-8(4-2-7)5(9)10/h1-4,6-7H2,(H,9,10)
InChIKeyGUAGHTMCGMYUBF-UHFFFAOYSA-N
XLogP-1.12
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl)carbamic acid?
The IUPAC name of bis(2-aminoethyl)carbamic acid (CID 87605619) is bis(2-aminoethyl)carbamic acid.
What is the SMILES notation for bis(2-aminoethyl)carbamic acid?
The canonical SMILES for bis(2-aminoethyl)carbamic acid is NCCN(CCN)C(=O)O.
What is the InChIKey of bis(2-aminoethyl)carbamic acid?
The InChIKey is GUAGHTMCGMYUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c6-1-3-8(4-2-7)5(9)10/h1-4,6-7H2,(H,9,10).
What are the key properties of bis(2-aminoethyl)carbamic acid?
bis(2-aminoethyl)carbamic acid has a molecular weight of 147.18 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl)carbamic acid is sourced from PubChem (CID 87605619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).