N-methyl-N-(octan-3-ylideneamino)formamide

C10H20N2O — CID 71392671

IUPACN-methyl-N-(octan-3-ylideneamino)formamide
SMILESCCCCCC(CC)=NN(C)C=O
InChIInChI=1S/C10H20N2O/c1-4-6-7-8-10(5-2)11-12(3)9-13/h9H,4-8H2,1-3H3
InChIKeyMTHLICGSNWGAJF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds7

About N-methyl-N-(octan-3-ylideneamino)formamide

N-methyl-N-(octan-3-ylideneamino)formamide (PubChem CID 71392671) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-(octan-3-ylideneamino)formamide.

Molecular Properties

Compound NameN-methyl-N-(octan-3-ylideneamino)formamide
PubChem CID71392671
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-(octan-3-ylideneamino)formamide
SMILESCCCCCC(CC)=NN(C)C=O
InChIInChI=1S/C10H20N2O/c1-4-6-7-8-10(5-2)11-12(3)9-13/h9H,4-8H2,1-3H3
InChIKeyMTHLICGSNWGAJF-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

N-methyloctan-3-imine
CID 550941
N,N-dimethylformamide;dodecane
CID 174900991
(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
CID 6392818
N,N-dimethylformamide;dioctyl decanedioate
CID 174937904
N-[(Z)-decan-2-ylideneamino]-N-methylmethanamine
CID 6506660
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
N-methyl-N-pentylformamide
CID 22754748
decan-5-ylidenehydrazine
CID 86114328
but-2-enedioic acid;(decan-3-ylideneamino) propanoate
CID 173367720
(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
CID 174741843
CID 174741843
N,N-dimethylmethanamine;octanoic acid
CID 173098896

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(octan-3-ylideneamino)formamide?
The IUPAC name of N-methyl-N-(octan-3-ylideneamino)formamide (CID 71392671) is N-methyl-N-(octan-3-ylideneamino)formamide.
What is the SMILES notation for N-methyl-N-(octan-3-ylideneamino)formamide?
The canonical SMILES for N-methyl-N-(octan-3-ylideneamino)formamide is CCCCCC(CC)=NN(C)C=O.
What is the InChIKey of N-methyl-N-(octan-3-ylideneamino)formamide?
The InChIKey is MTHLICGSNWGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-7-8-10(5-2)11-12(3)9-13/h9H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(octan-3-ylideneamino)formamide?
N-methyl-N-(octan-3-ylideneamino)formamide has a molecular weight of 184.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(octan-3-ylideneamino)formamide is sourced from PubChem (CID 71392671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).