2-iodo-1-phosphanylbutan-1-imine

C4H9INP — CID 163498821

IUPAC2-iodo-1-phosphanylbutan-1-imine
SMILES[H]/N=C(\P)C(I)CC
InChIInChI=1S/C4H9INP/c1-2-3(5)4(6)7/h3,6H,2,7H2,1H3/b6-4-
InChIKeyFAEAJPAVTWDCGN-XQRVVYSFSA-N
MW229.00 g/mol
LogP2.05
Rot. Bonds2

About 2-iodo-1-phosphanylbutan-1-imine

2-iodo-1-phosphanylbutan-1-imine (PubChem CID 163498821) has the molecular formula C4H9INP and a molecular weight of 229.00 g/mol. Its IUPAC name is 2-iodo-1-phosphanylbutan-1-imine.

Molecular Properties

Compound Name2-iodo-1-phosphanylbutan-1-imine
PubChem CID163498821
Molecular FormulaC4H9INP
Molecular Weight229.00 g/mol
Exact Mass228.95
IUPAC Name2-iodo-1-phosphanylbutan-1-imine
SMILES[H]/N=C(\P)C(I)CC
InChIInChI=1S/C4H9INP/c1-2-3(5)4(6)7/h3,6H,2,7H2,1H3/b6-4-
InChIKeyFAEAJPAVTWDCGN-XQRVVYSFSA-N
XLogP2.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.00
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,2,3-triiodopent-1-en-1-ol
CID 118275868
3-ethylpentan-2-imine
CID 91583168
1-iodopropylphosphane;hydroiodide
CID 173025717
2-ethylbutanimidate;hydrochloride
CID 19082418
2-ethylpropanediimidamide;dihydrochloride
CID 87175836
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
[(2R)-2-methylbutyl] carbamimidothioate
CID 3084888
2-ethylbutanimidoylphosphonous acid
CID 91569966
5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine
CID 87429713
3-imino-4-methylhexan-2-one
CID 174544860
(3S)-4-ethyl-2-iminohexan-3-amine
CID 166901408
3-ethyl-4-iminopentan-2-one
CID 90798974

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-phosphanylbutan-1-imine?
The IUPAC name of 2-iodo-1-phosphanylbutan-1-imine (CID 163498821) is 2-iodo-1-phosphanylbutan-1-imine.
What is the SMILES notation for 2-iodo-1-phosphanylbutan-1-imine?
The canonical SMILES for 2-iodo-1-phosphanylbutan-1-imine is [H]/N=C(\P)C(I)CC.
What is the InChIKey of 2-iodo-1-phosphanylbutan-1-imine?
The InChIKey is FAEAJPAVTWDCGN-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H9INP/c1-2-3(5)4(6)7/h3,6H,2,7H2,1H3/b6-4-.
What are the key properties of 2-iodo-1-phosphanylbutan-1-imine?
2-iodo-1-phosphanylbutan-1-imine has a molecular weight of 229.00 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-phosphanylbutan-1-imine is sourced from PubChem (CID 163498821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).