2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide

C6H14N3P — CID 59741621

IUPAC2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(P)C1
InChIInChI=1S/C6H14N3P/c7-6(8)3-5-1-2-9(10)4-5/h5H,1-4,10H2,(H3,7,8)
InChIKeyBKEXUXNWOQXQBW-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.42
Rot. Bonds2

About 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide

2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide (PubChem CID 59741621) has the molecular formula C6H14N3P and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide
PubChem CID59741621
Molecular FormulaC6H14N3P
Molecular Weight159.17 g/mol
Exact Mass159.09
IUPAC Name2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCN(P)C1
InChIInChI=1S/C6H14N3P/c7-6(8)3-5-1-2-9(10)4-5/h5H,1-4,10H2,(H3,7,8)
InChIKeyBKEXUXNWOQXQBW-UHFFFAOYSA-N
XLogP0.42
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopentylpyrrolidin-3-yl)ethanimidamide
CID 131223529
acetic acid;3-(2-amino-2-iminoethyl)pyrrolidine-1-carboxylic acid
CID 67155673
2-(1-propan-2-ylpiperidin-4-yl)ethanimidamide
CID 130787512
tert-butyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 58257491
acetyl 4-(2-amino-2-iminoethyl)azepane-1-carboxylate
CID 87290176
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
3-[3-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 112625795
1-(1-phosphanylpiperidin-3-yl)propan-2-one
CID 20714244
2-cyclopentylsulfanylethanimidamide
CID 63114985
3-cyclopentylpropanimidamide
CID 83681795
3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 64599754

Frequently Asked Questions

What is the IUPAC name of 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide?
The IUPAC name of 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide (CID 59741621) is 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide.
What is the SMILES notation for 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide?
The canonical SMILES for 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide is [H]/N=C(\N)CC1CCN(P)C1.
What is the InChIKey of 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide?
The InChIKey is BKEXUXNWOQXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3P/c7-6(8)3-5-1-2-9(10)4-5/h5H,1-4,10H2,(H3,7,8).
What are the key properties of 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide?
2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide has a molecular weight of 159.17 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phosphanylpyrrolidin-3-yl)ethanimidamide is sourced from PubChem (CID 59741621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).