4-aminononadec-1-en-3-one

C19H37NO — CID 141408197

IUPAC4-aminononadec-1-en-3-one
SMILESC=CC(=O)C(N)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)4-2/h4,18H,2-3,5-17,20H2,1H3
InChIKeyUSAHSUFVZJHHQR-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.55
Rot. Bonds16

About 4-aminononadec-1-en-3-one

4-aminononadec-1-en-3-one (PubChem CID 141408197) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-aminononadec-1-en-3-one.

Molecular Properties

Compound Name4-aminononadec-1-en-3-one
PubChem CID141408197
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-aminononadec-1-en-3-one
SMILESC=CC(=O)C(N)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)4-2/h4,18H,2-3,5-17,20H2,1H3
InChIKeyUSAHSUFVZJHHQR-UHFFFAOYSA-N
XLogP5.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-aminotridec-1-en-3-one
CID 168863817
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
7-amino-2-prop-2-enoyldodecanoic acid
CID 175183655
4-methylnon-1-en-3-one
CID 24974485
4-(3-oxoundec-1-en-4-yloxy)undec-1-en-3-one
CID 140975481
(2S)-2-aminododecanoic acid
CID 10560640
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminododecanamide;hydrochloride
CID 14881390
2-aminohexadecanoic acid;azane
CID 175267671
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444

Frequently Asked Questions

What is the IUPAC name of 4-aminononadec-1-en-3-one?
The IUPAC name of 4-aminononadec-1-en-3-one (CID 141408197) is 4-aminononadec-1-en-3-one.
What is the SMILES notation for 4-aminononadec-1-en-3-one?
The canonical SMILES for 4-aminononadec-1-en-3-one is C=CC(=O)C(N)CCCCCCCCCCCCCCC.
What is the InChIKey of 4-aminononadec-1-en-3-one?
The InChIKey is USAHSUFVZJHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)4-2/h4,18H,2-3,5-17,20H2,1H3.
What are the key properties of 4-aminononadec-1-en-3-one?
4-aminononadec-1-en-3-one has a molecular weight of 295.51 g/mol, XLogP of 5.55, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminononadec-1-en-3-one is sourced from PubChem (CID 141408197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).