20-(methylamino)icosanal

C21H43NO — CID 177224793

IUPAC20-(methylamino)icosanal
SMILESCNCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C21H43NO/c1-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h21-22H,2-20H2,1H3
InChIKeyIGEPNGJQLMCCHY-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.43
Rot. Bonds20

About 20-(methylamino)icosanal

20-(methylamino)icosanal (PubChem CID 177224793) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 20-(methylamino)icosanal.

Molecular Properties

Compound Name20-(methylamino)icosanal
PubChem CID177224793
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name20-(methylamino)icosanal
SMILESCNCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C21H43NO/c1-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h21-22H,2-20H2,1H3
InChIKeyIGEPNGJQLMCCHY-UHFFFAOYSA-N
XLogP6.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
4-aminobenzaldehyde;6-(methylamino)hexanal
CID 145444574
pentadecanedial
CID 22887412
ethane;N'-ethyl-N-methylpropane-1,3-diamine;9-(propan-2-ylamino)nonanal
CID 168958962
N,5-dimethylhexan-1-amine;18-oxooctadecanoic acid
CID 177324861
N-[3-(methylamino)propyl]formamide
CID 54313593
N-methylpropan-1-amine;pentanal
CID 145316342
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
(E)-N-methyloct-6-en-1-amine
CID 55287936

Frequently Asked Questions

What is the IUPAC name of 20-(methylamino)icosanal?
The IUPAC name of 20-(methylamino)icosanal (CID 177224793) is 20-(methylamino)icosanal.
What is the SMILES notation for 20-(methylamino)icosanal?
The canonical SMILES for 20-(methylamino)icosanal is CNCCCCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 20-(methylamino)icosanal?
The InChIKey is IGEPNGJQLMCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h21-22H,2-20H2,1H3.
What are the key properties of 20-(methylamino)icosanal?
20-(methylamino)icosanal has a molecular weight of 325.58 g/mol, XLogP of 6.43, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(methylamino)icosanal is sourced from PubChem (CID 177224793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).