3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide

C8H18N4O2 — CID 144787954

IUPAC3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide
SMILESNCCNC(=O)CC(N)C(=O)CCN
InChIInChI=1S/C8H18N4O2/c9-2-1-7(13)6(11)5-8(14)12-4-3-10/h6H,1-5,9-11H2,(H,12,14)
InChIKeyMWLBGPKDCQZFGC-UHFFFAOYSA-N
MW202.26 g/mol
LogP-2.30
Rot. Bonds7

About 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide

3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide (PubChem CID 144787954) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide.

Molecular Properties

Compound Name3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide
PubChem CID144787954
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide
SMILESNCCNC(=O)CC(N)C(=O)CCN
InChIInChI=1S/C8H18N4O2/c9-2-1-7(13)6(11)5-8(14)12-4-3-10/h6H,1-5,9-11H2,(H,12,14)
InChIKeyMWLBGPKDCQZFGC-UHFFFAOYSA-N
XLogP-2.30
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide?
The IUPAC name of 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide (CID 144787954) is 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide.
What is the SMILES notation for 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide?
The canonical SMILES for 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide is NCCNC(=O)CC(N)C(=O)CCN.
What is the InChIKey of 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide?
The InChIKey is MWLBGPKDCQZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c9-2-1-7(13)6(11)5-8(14)12-4-3-10/h6H,1-5,9-11H2,(H,12,14).
What are the key properties of 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide?
3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide has a molecular weight of 202.26 g/mol, XLogP of -2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide is sourced from PubChem (CID 144787954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).