7,9-diamino-5-(aminomethyl)-6-oxononanal

C10H21N3O2 — CID 54159206

IUPAC7,9-diamino-5-(aminomethyl)-6-oxononanal
SMILESNCCC(N)C(=O)C(CN)CCCC=O
InChIInChI=1S/C10H21N3O2/c11-5-4-9(13)10(15)8(7-12)3-1-2-6-14/h6,8-9H,1-5,7,11-13H2
InChIKeyYCXHPDOXFFRMFG-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.82
Rot. Bonds9

About 7,9-diamino-5-(aminomethyl)-6-oxononanal

7,9-diamino-5-(aminomethyl)-6-oxononanal (PubChem CID 54159206) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 7,9-diamino-5-(aminomethyl)-6-oxononanal.

Molecular Properties

Compound Name7,9-diamino-5-(aminomethyl)-6-oxononanal
PubChem CID54159206
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name7,9-diamino-5-(aminomethyl)-6-oxononanal
SMILESNCCC(N)C(=O)C(CN)CCCC=O
InChIInChI=1S/C10H21N3O2/c11-5-4-9(13)10(15)8(7-12)3-1-2-6-14/h6,8-9H,1-5,7,11-13H2
InChIKeyYCXHPDOXFFRMFG-UHFFFAOYSA-N
XLogP-0.82
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-oxohexanamide
CID 54192853
2-hydroxy-6-oxohexanamide
CID 175466908
2,4-diaminobutanoic acid
CID 158725018
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
2-(1-hydroxyethyl)hexanedial
CID 174774075
(4S)-1,4,8-triamino-2-hydroxyoctan-3-one
CID 141236123
CID 20816022
CID 20816022
20-amino-20-hydroxyicosanal
CID 89131353
dimethyl 2-(4-oxobutyl)heptanedioate
CID 141336687
2-amino-6-oxohexanoic acid;1,1-diethoxyethane
CID 87538679
4-aminobutanal;ethane
CID 91518862
acetaldehyde;(2S)-2,6-diaminohexanoic acid
CID 87191323

Frequently Asked Questions

What is the IUPAC name of 7,9-diamino-5-(aminomethyl)-6-oxononanal?
The IUPAC name of 7,9-diamino-5-(aminomethyl)-6-oxononanal (CID 54159206) is 7,9-diamino-5-(aminomethyl)-6-oxononanal.
What is the SMILES notation for 7,9-diamino-5-(aminomethyl)-6-oxononanal?
The canonical SMILES for 7,9-diamino-5-(aminomethyl)-6-oxononanal is NCCC(N)C(=O)C(CN)CCCC=O.
What is the InChIKey of 7,9-diamino-5-(aminomethyl)-6-oxononanal?
The InChIKey is YCXHPDOXFFRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-5-4-9(13)10(15)8(7-12)3-1-2-6-14/h6,8-9H,1-5,7,11-13H2.
What are the key properties of 7,9-diamino-5-(aminomethyl)-6-oxononanal?
7,9-diamino-5-(aminomethyl)-6-oxononanal has a molecular weight of 215.30 g/mol, XLogP of -0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diamino-5-(aminomethyl)-6-oxononanal is sourced from PubChem (CID 54159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).