(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide

C11H24N4O2 — CID 43156014

IUPAC(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide
SMILESCC(C)N(CCNC(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)15(9(3)4)6-5-13-11(16)7-10(12)14-17/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyZOMIFWLMLSAHMM-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.36
Rot. Bonds7

About (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide

(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide (PubChem CID 43156014) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide
PubChem CID43156014
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide
SMILESCC(C)N(CCNC(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)15(9(3)4)6-5-13-11(16)7-10(12)14-17/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyZOMIFWLMLSAHMM-UHFFFAOYSA-N
XLogP0.36
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.36
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'}

Analyze (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide (CID 43156014) is (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide is CC(C)N(CCNC(=O)C/C(N)=N/O)C(C)C.
What is the InChIKey of (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide?
The InChIKey is ZOMIFWLMLSAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(2)15(9(3)4)6-5-13-11(16)7-10(12)14-17/h8-9,17H,5-7H2,1-4H3,(H2,12,14)(H,13,16).
What are the key properties of (3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide has a molecular weight of 244.34 g/mol, XLogP of 0.36, 7 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-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).