azane;bis(butanedioic acid);ethane-1,2-diamine

C10H32N6O8 — CID 173216605

IUPACazane;bis(butanedioic acid);ethane-1,2-diamine
SMILESN.N.N.N.NCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/2C4H6O4.C2H8N2.4H3N/c2*5-3(6)1-2-4(7)8;3-1-2-4;;;;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;4*1H3
InChIKeyNKAXIDVXXZSTDT-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.58
Rot. Bonds7

About azane;bis(butanedioic acid);ethane-1,2-diamine

azane;bis(butanedioic acid);ethane-1,2-diamine (PubChem CID 173216605) has the molecular formula C10H32N6O8 and a molecular weight of 364.40 g/mol. Its IUPAC name is azane;bis(butanedioic acid);ethane-1,2-diamine.

Molecular Properties

Compound Nameazane;bis(butanedioic acid);ethane-1,2-diamine
PubChem CID173216605
Molecular FormulaC10H32N6O8
Molecular Weight364.40 g/mol
Exact Mass364.23
IUPAC Nameazane;bis(butanedioic acid);ethane-1,2-diamine
SMILESN.N.N.N.NCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/2C4H6O4.C2H8N2.4H3N/c2*5-3(6)1-2-4(7)8;3-1-2-4;;;;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;4*1H3
InChIKeyNKAXIDVXXZSTDT-UHFFFAOYSA-N
XLogP-0.58
TPSA341.24 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 173009716
CID 173009716
bis(butanedioic acid);ethane-1,2-diamine;zinc
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CID 158203202
azane;butanedioic acid
CID 87070561
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
3-(15N)azanyl(113C)propanoic acid
CID 11366951
azane;butanedioic acid;dihydrate
CID 141112137
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;methanol
CID 131741728
butanedioic acid;difluoromethane
CID 159584710
bis(butanedioic acid);carbonic acid
CID 159577506
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CID 22445535

Frequently Asked Questions

What is the IUPAC name of azane;bis(butanedioic acid);ethane-1,2-diamine?
The IUPAC name of azane;bis(butanedioic acid);ethane-1,2-diamine (CID 173216605) is azane;bis(butanedioic acid);ethane-1,2-diamine.
What is the SMILES notation for azane;bis(butanedioic acid);ethane-1,2-diamine?
The canonical SMILES for azane;bis(butanedioic acid);ethane-1,2-diamine is N.N.N.N.NCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of azane;bis(butanedioic acid);ethane-1,2-diamine?
The InChIKey is NKAXIDVXXZSTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.C2H8N2.4H3N/c2*5-3(6)1-2-4(7)8;3-1-2-4;;;;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;4*1H3.
What are the key properties of azane;bis(butanedioic acid);ethane-1,2-diamine?
azane;bis(butanedioic acid);ethane-1,2-diamine has a molecular weight of 364.40 g/mol, XLogP of -0.58, 7 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(butanedioic acid);ethane-1,2-diamine is sourced from PubChem (CID 173216605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).