N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide

C9H16N2O — CID 144767251

IUPACN-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide
SMILESCCCC(/C=C\N(C)C=O)=N\C
InChIInChI=1S/C9H16N2O/c1-4-5-9(10-2)6-7-11(3)8-12/h6-8H,4-5H2,1-3H3/b7-6-,10-9+
InChIKeyPCVUCMIEWQMMLW-IXWMQOLASA-N
MW168.24 g/mol
LogP1.46
Rot. Bonds5

About N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide

N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide (PubChem CID 144767251) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide
PubChem CID144767251
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide
SMILESCCCC(/C=C\N(C)C=O)=N\C
InChIInChI=1S/C9H16N2O/c1-4-5-9(10-2)6-7-11(3)8-12/h6-8H,4-5H2,1-3H3/b7-6-,10-9+
InChIKeyPCVUCMIEWQMMLW-IXWMQOLASA-N
XLogP1.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide?
The IUPAC name of N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide (CID 144767251) is N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide.
What is the SMILES notation for N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide?
The canonical SMILES for N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide is CCCC(/C=C\N(C)C=O)=N\C.
What is the InChIKey of N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide?
The InChIKey is PCVUCMIEWQMMLW-IXWMQOLASA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9(10-2)6-7-11(3)8-12/h6-8H,4-5H2,1-3H3/b7-6-,10-9+.
What are the key properties of N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide?
N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide has a molecular weight of 168.24 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-3-methyliminohex-1-enyl]formamide is sourced from PubChem (CID 144767251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).