2,3-diamino-2-hexylpentanedial

C11H22N2O2 — CID 54424040

IUPAC2,3-diamino-2-hexylpentanedial
SMILESCCCCCCC(N)(C=O)C(N)CC=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-7-11(13,9-15)10(12)6-8-14/h8-10H,2-7,12-13H2,1H3
InChIKeyWCUTYQJLBNLHEN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds9

About 2,3-diamino-2-hexylpentanedial

2,3-diamino-2-hexylpentanedial (PubChem CID 54424040) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,3-diamino-2-hexylpentanedial.

Molecular Properties

Compound Name2,3-diamino-2-hexylpentanedial
PubChem CID54424040
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,3-diamino-2-hexylpentanedial
SMILESCCCCCCC(N)(C=O)C(N)CC=O
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-7-11(13,9-15)10(12)6-8-14/h8-10H,2-7,12-13H2,1H3
InChIKeyWCUTYQJLBNLHEN-UHFFFAOYSA-N
XLogP0.77
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,2-diaminononadecanal
CID 174639671
2,2-diethylundecanal
CID 152675442
2-amino-2-methylundecanal
CID 175716419
formic acid;9-octylheptadecan-9-amine
CID 173166613
(2R)-2-amino-2-methylnonanal
CID 145052924
11-decylhenicosan-11-amine
CID 19847882
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
6-ethylundecan-6-amine
CID 173250227
5-butylhexadecan-5-amine
CID 22244897

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-hexylpentanedial?
The IUPAC name of 2,3-diamino-2-hexylpentanedial (CID 54424040) is 2,3-diamino-2-hexylpentanedial.
What is the SMILES notation for 2,3-diamino-2-hexylpentanedial?
The canonical SMILES for 2,3-diamino-2-hexylpentanedial is CCCCCCC(N)(C=O)C(N)CC=O.
What is the InChIKey of 2,3-diamino-2-hexylpentanedial?
The InChIKey is WCUTYQJLBNLHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-7-11(13,9-15)10(12)6-8-14/h8-10H,2-7,12-13H2,1H3.
What are the key properties of 2,3-diamino-2-hexylpentanedial?
2,3-diamino-2-hexylpentanedial has a molecular weight of 214.31 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-hexylpentanedial is sourced from PubChem (CID 54424040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).