N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide

C5H11N3O — CID 142187150

IUPACN-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
SMILESCC/C(=N/NC)NC=O
InChIInChI=1S/C5H11N3O/c1-3-5(7-4-9)8-6-2/h4,6H,3H2,1-2H3,(H,7,8,9)
InChIKeyRXZBROFEPIRONI-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.32
Rot. Bonds3

About N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide

N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide (PubChem CID 142187150) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide.

Molecular Properties

Compound NameN-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
PubChem CID142187150
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
SMILESCC/C(=N/NC)NC=O
InChIInChI=1S/C5H11N3O/c1-3-5(7-4-9)8-6-2/h4,6H,3H2,1-2H3,(H,7,8,9)
InChIKeyRXZBROFEPIRONI-UHFFFAOYSA-N
XLogP-0.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 154939829
N-(N'-ethylcarbamimidoyl)formamide
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CID 162729843
N-[(Z)-1-ethylsulfonyl-3-methylpent-2-en-2-yl]formamide
CID 129313816
(2E)-2-hydroxyiminobutanal
CID 141198378
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
N-(diethoxymethylideneamino)methanamine
CID 23269000
methyl (Z)-2-formamidohex-2-enoate
CID 11571868
N-formyloctadecanamide
CID 54418147
N-[(Z)-hept-3-en-4-yl]formamide
CID 55300804
methane;bis(N-methylformamide);propanal
CID 158729110
cyclopropane;N-methylformamide
CID 145062498

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide?
The IUPAC name of N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide (CID 142187150) is N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide.
What is the SMILES notation for N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide?
The canonical SMILES for N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide is CC/C(=N/NC)NC=O.
What is the InChIKey of N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide?
The InChIKey is RXZBROFEPIRONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-5(7-4-9)8-6-2/h4,6H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide?
N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide has a molecular weight of 129.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide is sourced from PubChem (CID 142187150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).