3-ethylphosphanylbutan-1-imine

C6H14NP — CID 123356939

IUPAC3-ethylphosphanylbutan-1-imine
SMILES[H]/N=C/CC(C)PCC
InChIInChI=1S/C6H14NP/c1-3-8-6(2)4-5-7/h5-8H,3-4H2,1-2H3/b7-5+
InChIKeyQQWQCBSDVACWNX-FNORWQNLSA-N
MW131.16 g/mol
LogP2.11
Rot. Bonds4

About 3-ethylphosphanylbutan-1-imine

3-ethylphosphanylbutan-1-imine (PubChem CID 123356939) has the molecular formula C6H14NP and a molecular weight of 131.16 g/mol. Its IUPAC name is 3-ethylphosphanylbutan-1-imine.

Molecular Properties

Compound Name3-ethylphosphanylbutan-1-imine
PubChem CID123356939
Molecular FormulaC6H14NP
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC Name3-ethylphosphanylbutan-1-imine
SMILES[H]/N=C/CC(C)PCC
InChIInChI=1S/C6H14NP/c1-3-8-6(2)4-5-7/h5-8H,3-4H2,1-2H3/b7-5+
InChIKeyQQWQCBSDVACWNX-FNORWQNLSA-N
XLogP2.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane;propan-1-imine
CID 175287004
4-imino-2-methylbutanamide
CID 174442854
4-imino-2-methylbutanal
CID 148810573
2-ethyl-4-iminobutanal
CID 173121317
3,6-dimethylheptan-1-imine
CID 175257042
(3R)-5-imino-3-methylpent-1-en-2-ol
CID 152818333
3-iminopropane-1,1-diamine
CID 123272207
5-methyl-3-(2-methylpropyl)heptan-1-imine
CID 170290913
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
[(2S)-4-iminobutan-2-yl]-methylcarbamic acid
CID 175269858
(3S)-3-methyl-4-pyrrolidin-1-ylbutan-1-imine
CID 174577570
[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine
CID 145381848

Frequently Asked Questions

What is the IUPAC name of 3-ethylphosphanylbutan-1-imine?
The IUPAC name of 3-ethylphosphanylbutan-1-imine (CID 123356939) is 3-ethylphosphanylbutan-1-imine.
What is the SMILES notation for 3-ethylphosphanylbutan-1-imine?
The canonical SMILES for 3-ethylphosphanylbutan-1-imine is [H]/N=C/CC(C)PCC.
What is the InChIKey of 3-ethylphosphanylbutan-1-imine?
The InChIKey is QQWQCBSDVACWNX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14NP/c1-3-8-6(2)4-5-7/h5-8H,3-4H2,1-2H3/b7-5+.
What are the key properties of 3-ethylphosphanylbutan-1-imine?
3-ethylphosphanylbutan-1-imine has a molecular weight of 131.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphosphanylbutan-1-imine is sourced from PubChem (CID 123356939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).