2,2-diaminononadecanal

C19H40N2O — CID 174639671

IUPAC2,2-diaminononadecanal
SMILESCCCCCCCCCCCCCCCCCC(N)(N)C=O
InChIInChI=1S/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20,21)18-22/h18H,2-17,20-21H2,1H3
InChIKeyKCCDPCDTMPJRLE-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.06
Rot. Bonds17

About 2,2-diaminononadecanal

2,2-diaminononadecanal (PubChem CID 174639671) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,2-diaminononadecanal.

Molecular Properties

Compound Name2,2-diaminononadecanal
PubChem CID174639671
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name2,2-diaminononadecanal
SMILESCCCCCCCCCCCCCCCCCC(N)(N)C=O
InChIInChI=1S/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20,21)18-22/h18H,2-17,20-21H2,1H3
InChIKeyKCCDPCDTMPJRLE-UHFFFAOYSA-N
XLogP5.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
formic acid;9-octylheptadecan-9-amine
CID 173166613
2,2-diethylundecanal
CID 152675442
2,2-difluorodecanal
CID 14644932
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
tetracosane-6,6-diamine
CID 154005419
2-hydroxy-2-methylundecanal
CID 66038378
2-methyl-2-sulfanyldecanal
CID 154228508
2,3-diamino-2-hexylpentanedial
CID 54424040
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860

Frequently Asked Questions

What is the IUPAC name of 2,2-diaminononadecanal?
The IUPAC name of 2,2-diaminononadecanal (CID 174639671) is 2,2-diaminononadecanal.
What is the SMILES notation for 2,2-diaminononadecanal?
The canonical SMILES for 2,2-diaminononadecanal is CCCCCCCCCCCCCCCCCC(N)(N)C=O.
What is the InChIKey of 2,2-diaminononadecanal?
The InChIKey is KCCDPCDTMPJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20,21)18-22/h18H,2-17,20-21H2,1H3.
What are the key properties of 2,2-diaminononadecanal?
2,2-diaminononadecanal has a molecular weight of 312.54 g/mol, XLogP of 5.06, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diaminononadecanal is sourced from PubChem (CID 174639671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).