[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine

C11H24NP — CID 145381848

IUPAC[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine
SMILESCC/C=C/P.[H]/N=C/CC(C)C(C)C
InChIInChI=1S/C7H15N.C4H9P/c1-6(2)7(3)4-5-8;1-2-3-4-5/h5-8H,4H2,1-3H3;3-4H,2,5H2,1H3/b8-5+;4-3+
InChIKeyKALNOMCGRPLASR-NNEAENLQSA-N
MW201.29 g/mol
LogP4.10
Rot. Bonds4

About [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine

[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine (PubChem CID 145381848) has the molecular formula C11H24NP and a molecular weight of 201.29 g/mol. Its IUPAC name is [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine.

Molecular Properties

Compound Name[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine
PubChem CID145381848
Molecular FormulaC11H24NP
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine
SMILESCC/C=C/P.[H]/N=C/CC(C)C(C)C
InChIInChI=1S/C7H15N.C4H9P/c1-6(2)7(3)4-5-8;1-2-3-4-5/h5-8H,4H2,1-3H3;3-4H,2,5H2,1H3/b8-5+;4-3+
InChIKeyKALNOMCGRPLASR-NNEAENLQSA-N
XLogP4.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 54.10
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

(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
3-ethylphosphanylbutan-1-imine
CID 123356939
deca-4,7-dien-1-imine
CID 123827907
5-methyl-3-(2-methylpropyl)heptan-1-imine
CID 170290913
propane;propan-1-imine
CID 175287004
4-imino-2-methylbutanal
CID 148810573
3-propan-2-ylsulfanylpropan-1-imine
CID 130460369
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
[(2S)-4-iminobutan-2-yl]-methylcarbamic acid
CID 175269858

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine?
The IUPAC name of [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine (CID 145381848) is [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine.
What is the SMILES notation for [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine?
The canonical SMILES for [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine is CC/C=C/P.[H]/N=C/CC(C)C(C)C.
What is the InChIKey of [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine?
The InChIKey is KALNOMCGRPLASR-NNEAENLQSA-N. The full InChI is InChI=1S/C7H15N.C4H9P/c1-6(2)7(3)4-5-8;1-2-3-4-5/h5-8H,4H2,1-3H3;3-4H,2,5H2,1H3/b8-5+;4-3+.
What are the key properties of [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine?
[(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine has a molecular weight of 201.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]phosphane;3,4-dimethylpentan-1-imine is sourced from PubChem (CID 145381848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).