N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide

C8H17N3O — CID 142097612

IUPACN-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
SMILESC/C(N)=C\N/C(C)=N/CCCO
InChIInChI=1S/C8H17N3O/c1-7(9)6-11-8(2)10-4-3-5-12/h6,12H,3-5,9H2,1-2H3,(H,10,11)/b7-6+
InChIKeyBAFPLEQMLVTZPR-VOTSOKGWSA-N
MW171.24 g/mol
LogP0.20
Rot. Bonds4

About N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide

N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide (PubChem CID 142097612) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
PubChem CID142097612
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
SMILESC/C(N)=C\N/C(C)=N/CCCO
InChIInChI=1S/C8H17N3O/c1-7(9)6-11-8(2)10-4-3-5-12/h6,12H,3-5,9H2,1-2H3,(H,10,11)/b7-6+
InChIKeyBAFPLEQMLVTZPR-VOTSOKGWSA-N
XLogP0.20
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-(3-hydroxypropyl)-1-methylideneguanidine
CID 142917146
N-hydroxy-N'-(2-hydroxyethyl)ethanimidamide
CID 130383986
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
N-ethenyl-N'-propylethanimidamide
CID 123737533
1-chloro-2-(6-hydroxyhexyl)guanidine
CID 118327887
2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
CID 46845149
N-[(E)-2-aminoprop-1-enyl]hydroxylamine
CID 143322013
N'-hydroxy-8-[1-(hydroxyamino)ethylideneamino]octanimidamide
CID 143800296
(E)-7-(diaminomethylideneamino)hept-2-enamide
CID 13273202
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide?
The IUPAC name of N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide (CID 142097612) is N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide.
What is the SMILES notation for N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide?
The canonical SMILES for N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide is C/C(N)=C\N/C(C)=N/CCCO.
What is the InChIKey of N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide?
The InChIKey is BAFPLEQMLVTZPR-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(9)6-11-8(2)10-4-3-5-12/h6,12H,3-5,9H2,1-2H3,(H,10,11)/b7-6+.
What are the key properties of N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide?
N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide is sourced from PubChem (CID 142097612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).