N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide

C7H13N3O — CID 134448182

IUPACN-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide
SMILESC/N=C/C=C\N(C=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-7(8)10(6-11)5-3-4-9-2/h3-7H,8H2,1-2H3/b5-3-,9-4+/t7-/m0/s1
InChIKeyMZNBOGNXHIXLCA-RRFXXGPASA-N
MW155.20 g/mol
LogP-0.04
Rot. Bonds4

About N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide

N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide (PubChem CID 134448182) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide
PubChem CID134448182
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide
SMILESC/N=C/C=C\N(C=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-7(8)10(6-11)5-3-4-9-2/h3-7H,8H2,1-2H3/b5-3-,9-4+/t7-/m0/s1
InChIKeyMZNBOGNXHIXLCA-RRFXXGPASA-N
XLogP-0.04
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide with MolForge

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

Launch Full Analysis

Related Compounds

N-formyl-N-(5-oxopentan-2-yl)formamide
CID 156711678
(2R)-2-amino-3-methylbutanal;ethane
CID 158862704
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
CID 88945658
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
(E)-3-(2-methyliminoethylideneamino)prop-2-enal
CID 143208002
N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide
CID 59959773
N-(1-aminohexyl)-N-formylformamide
CID 88703874
copper;bis(ethane-1,1-diamine)
CID 118678530
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
N-[(E)-2-benzylsulfanyl-3-methyliminoprop-1-enyl]-N-propan-2-ylformamide
CID 166854833
N-amino-N-(1-amino-1-hydroxypropan-2-yl)formamide
CID 88907606

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide?
The IUPAC name of N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide (CID 134448182) is N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide.
What is the SMILES notation for N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide?
The canonical SMILES for N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide is C/N=C/C=C\N(C=O)[C@@H](C)N.
What is the InChIKey of N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide?
The InChIKey is MZNBOGNXHIXLCA-RRFXXGPASA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(8)10(6-11)5-3-4-9-2/h3-7H,8H2,1-2H3/b5-3-,9-4+/t7-/m0/s1.
What are the key properties of N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide?
N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide has a molecular weight of 155.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-aminoethyl]-N-[(Z)-3-methyliminoprop-1-enyl]formamide is sourced from PubChem (CID 134448182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).