N-methyl-N-(octylideneamino)formamide

C10H20N2O — CID 71392675

IUPACN-methyl-N-(octylideneamino)formamide
SMILESCCCCCCCC=NN(C)C=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-9-11-12(2)10-13/h9-10H,3-8H2,1-2H3
InChIKeyQDIKCDSHPCQIHY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-N-(octylideneamino)formamide

N-methyl-N-(octylideneamino)formamide (PubChem CID 71392675) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-(octylideneamino)formamide.

Molecular Properties

Compound NameN-methyl-N-(octylideneamino)formamide
PubChem CID71392675
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-(octylideneamino)formamide
SMILESCCCCCCCC=NN(C)C=O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-9-11-12(2)10-13/h9-10H,3-8H2,1-2H3
InChIKeyQDIKCDSHPCQIHY-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(octylideneamino)formamide?
The IUPAC name of N-methyl-N-(octylideneamino)formamide (CID 71392675) is N-methyl-N-(octylideneamino)formamide.
What is the SMILES notation for N-methyl-N-(octylideneamino)formamide?
The canonical SMILES for N-methyl-N-(octylideneamino)formamide is CCCCCCCC=NN(C)C=O.
What is the InChIKey of N-methyl-N-(octylideneamino)formamide?
The InChIKey is QDIKCDSHPCQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-7-8-9-11-12(2)10-13/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(octylideneamino)formamide?
N-methyl-N-(octylideneamino)formamide has a molecular weight of 184.28 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(octylideneamino)formamide is sourced from PubChem (CID 71392675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).