3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide

C10H18N6 — CID 173497880

IUPAC3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide
SMILES[H]/N=C(/C=C(N)N=C(N)C=C(C)N)N1CCC1
InChIInChI=1S/C10H18N6/c1-7(11)5-8(12)15-9(13)6-10(14)16-3-2-4-16/h5-6,14H,2-4,11,13H2,1H3,(H2,12,15)/b7-5?,9-6?,14-10-
InChIKeyLNORWEIZCRNISZ-HINSMGFJSA-N
MW222.30 g/mol
LogP-0.31
Rot. Bonds3

About 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide

3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide (PubChem CID 173497880) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide
PubChem CID173497880
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide
SMILES[H]/N=C(/C=C(N)N=C(N)C=C(C)N)N1CCC1
InChIInChI=1S/C10H18N6/c1-7(11)5-8(12)15-9(13)6-10(14)16-3-2-4-16/h5-6,14H,2-4,11,13H2,1H3,(H2,12,15)/b7-5?,9-6?,14-10-
InChIKeyLNORWEIZCRNISZ-HINSMGFJSA-N
XLogP-0.31
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide?
The IUPAC name of 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide (CID 173497880) is 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide.
What is the SMILES notation for 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide?
The canonical SMILES for 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide is [H]/N=C(/C=C(N)N=C(N)C=C(C)N)N1CCC1.
What is the InChIKey of 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide?
The InChIKey is LNORWEIZCRNISZ-HINSMGFJSA-N. The full InChI is InChI=1S/C10H18N6/c1-7(11)5-8(12)15-9(13)6-10(14)16-3-2-4-16/h5-6,14H,2-4,11,13H2,1H3,(H2,12,15)/b7-5?,9-6?,14-10-.
What are the key properties of 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide?
3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide has a molecular weight of 222.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[1-amino-3-(azetidin-1-yl)-3-iminoprop-1-enyl]but-2-enimidamide is sourced from PubChem (CID 173497880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).