3-[ethyl(phosphanyl)amino]butanal

C6H14NOP — CID 58784331

IUPAC3-[ethyl(phosphanyl)amino]butanal
SMILESCCN(P)C(C)CC=O
InChIInChI=1S/C6H14NOP/c1-3-7(9)6(2)4-5-8/h5-6H,3-4,9H2,1-2H3
InChIKeyOTDXGSOTEUQHHZ-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.08
Rot. Bonds4

About 3-[ethyl(phosphanyl)amino]butanal

3-[ethyl(phosphanyl)amino]butanal (PubChem CID 58784331) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 3-[ethyl(phosphanyl)amino]butanal.

Molecular Properties

Compound Name3-[ethyl(phosphanyl)amino]butanal
PubChem CID58784331
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name3-[ethyl(phosphanyl)amino]butanal
SMILESCCN(P)C(C)CC=O
InChIInChI=1S/C6H14NOP/c1-3-7(9)6(2)4-5-8/h5-6H,3-4,9H2,1-2H3
InChIKeyOTDXGSOTEUQHHZ-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-methylpentanal
CID 57153829
potassium;hydride;3-methylbutanal
CID 173363476
3-butylsulfanylbutanal
CID 11423750
(4S)-3-methyl-4-nitropentanal
CID 101090207
(3S)-4-(dimethylamino)-3-methylbutanal
CID 174590947
(2S)-3-methyl-2-(2-oxoethyl)butanenitrile
CID 98040671
3,4-diethylhexanal
CID 141064811
butan-2-one;3-methylbutanal
CID 158821469
3-tert-butylsulfanylbutanal
CID 175493057
3-(1-methoxyethoxy)pentanedial
CID 18924490
(3S,4S)-4-bromo-3-methylhexanal
CID 118119173
3-[4-(diethylamino)phenyl]butanal
CID 117313265

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phosphanyl)amino]butanal?
The IUPAC name of 3-[ethyl(phosphanyl)amino]butanal (CID 58784331) is 3-[ethyl(phosphanyl)amino]butanal.
What is the SMILES notation for 3-[ethyl(phosphanyl)amino]butanal?
The canonical SMILES for 3-[ethyl(phosphanyl)amino]butanal is CCN(P)C(C)CC=O.
What is the InChIKey of 3-[ethyl(phosphanyl)amino]butanal?
The InChIKey is OTDXGSOTEUQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-3-7(9)6(2)4-5-8/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 3-[ethyl(phosphanyl)amino]butanal?
3-[ethyl(phosphanyl)amino]butanal has a molecular weight of 147.16 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phosphanyl)amino]butanal is sourced from PubChem (CID 58784331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).