(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol

C8H16N2O — CID 171065813

IUPAC(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol
SMILESC/N=C(C)/C(CCO)=C(/C)N
InChIInChI=1S/C8H16N2O/c1-6(9)8(4-5-11)7(2)10-3/h11H,4-5,9H2,1-3H3/b8-6-,10-7+
InChIKeyFFDVJFDTXYNWAB-GOOBONSCSA-N
MW156.23 g/mol
LogP0.69
Rot. Bonds3

About (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol

(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol (PubChem CID 171065813) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol
PubChem CID171065813
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol
SMILESC/N=C(C)/C(CCO)=C(/C)N
InChIInChI=1S/C8H16N2O/c1-6(9)8(4-5-11)7(2)10-3/h11H,4-5,9H2,1-3H3/b8-6-,10-7+
InChIKeyFFDVJFDTXYNWAB-GOOBONSCSA-N
XLogP0.69
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol?
The IUPAC name of (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol (CID 171065813) is (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol.
What is the SMILES notation for (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol?
The canonical SMILES for (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol is C/N=C(C)/C(CCO)=C(/C)N.
What is the InChIKey of (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol?
The InChIKey is FFDVJFDTXYNWAB-GOOBONSCSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)8(4-5-11)7(2)10-3/h11H,4-5,9H2,1-3H3/b8-6-,10-7+.
What are the key properties of (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol?
(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-en-1-ol is sourced from PubChem (CID 171065813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).