(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide

C7H16N4O2 — CID 43155979

IUPAC(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide
SMILESCN(C)CCNC(=O)C/C(N)=N/O
InChIInChI=1S/C7H16N4O2/c1-11(2)4-3-9-7(12)5-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyFGTUAXZXMCUTRY-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.20
Rot. Bonds5

About (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide

(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide (PubChem CID 43155979) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide
PubChem CID43155979
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide
SMILESCN(C)CCNC(=O)C/C(N)=N/O
InChIInChI=1S/C7H16N4O2/c1-11(2)4-3-9-7(12)5-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyFGTUAXZXMCUTRY-UHFFFAOYSA-N
XLogP-1.20
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide (CID 43155979) is (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide is CN(C)CCNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide?
The InChIKey is FGTUAXZXMCUTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-11(2)4-3-9-7(12)5-6(8)10-13/h13H,3-5H2,1-2H3,(H2,8,10)(H,9,12).
What are the key properties of (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide has a molecular weight of 188.23 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyiminopropanamide is sourced from PubChem (CID 43155979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).