2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide

C13H23N5O — CID 70337134

IUPAC2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
SMILESC=CC=N/C(=C\N)NCCNCC(=O)N(C)C1CC1
InChIInChI=1S/C13H23N5O/c1-3-6-16-12(9-14)17-8-7-15-10-13(19)18(2)11-4-5-11/h3,6,9,11,15,17H,1,4-5,7-8,10,14H2,2H3/b12-9+,16-6?
InChIKeyMKXBHKCPOHWYQZ-FTMNZVPLSA-N
MW265.36 g/mol
LogP-0.20
Rot. Bonds9

About 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide

2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide (PubChem CID 70337134) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
PubChem CID70337134
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide
SMILESC=CC=N/C(=C\N)NCCNCC(=O)N(C)C1CC1
InChIInChI=1S/C13H23N5O/c1-3-6-16-12(9-14)17-8-7-15-10-13(19)18(2)11-4-5-11/h3,6,9,11,15,17H,1,4-5,7-8,10,14H2,2H3/b12-9+,16-6?
InChIKeyMKXBHKCPOHWYQZ-FTMNZVPLSA-N
XLogP-0.20
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide 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 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide (CID 70337134) is 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide is C=CC=N/C(=C\N)NCCNCC(=O)N(C)C1CC1.
What is the InChIKey of 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is MKXBHKCPOHWYQZ-FTMNZVPLSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-6-16-12(9-14)17-8-7-15-10-13(19)18(2)11-4-5-11/h3,6,9,11,15,17H,1,4-5,7-8,10,14H2,2H3/b12-9+,16-6?.
What are the key properties of 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide?
2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(Z)-2-amino-1-(prop-2-enylideneamino)ethenyl]amino]ethylamino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 70337134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).