N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide

C7H13N3 — CID 174329032

IUPACN-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
SMILES[H]/N=C(\C)N(C)/C(C)=C/N=C
InChIInChI=1S/C7H13N3/c1-6(5-9-3)10(4)7(2)8/h5,8H,3H2,1-2,4H3/b6-5+,8-7+
InChIKeyPGUKHDPMDJOBKI-BSWSSELBSA-N
MW139.20 g/mol
LogP1.48
Rot. Bonds2

About N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide

N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide (PubChem CID 174329032) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
PubChem CID174329032
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
SMILES[H]/N=C(\C)N(C)/C(C)=C/N=C
InChIInChI=1S/C7H13N3/c1-6(5-9-3)10(4)7(2)8/h5,8H,3H2,1-2,4H3/b6-5+,8-7+
InChIKeyPGUKHDPMDJOBKI-BSWSSELBSA-N
XLogP1.48
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide?
The IUPAC name of N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide (CID 174329032) is N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide?
The canonical SMILES for N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide is [H]/N=C(\C)N(C)/C(C)=C/N=C.
What is the InChIKey of N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide?
The InChIKey is PGUKHDPMDJOBKI-BSWSSELBSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(5-9-3)10(4)7(2)8/h5,8H,3H2,1-2,4H3/b6-5+,8-7+.
What are the key properties of N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide?
N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide is sourced from PubChem (CID 174329032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).