N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine

C16H26N2O — CID 134877010

IUPACN-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
SMILESCCCCCC(/C=N/N(C)C)OCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-5-7-12-16(13-17-18(2)3)19-14-15-10-8-6-9-11-15/h6,8-11,13,16H,4-5,7,12,14H2,1-3H3/b17-13+
InChIKeyWLPZUNYRBVKDSJ-GHRIWEEISA-N
MW262.40 g/mol
LogP3.70
Rot. Bonds9

About N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine

N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine (PubChem CID 134877010) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
PubChem CID134877010
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
SMILESCCCCCC(/C=N/N(C)C)OCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-5-7-12-16(13-17-18(2)3)19-14-15-10-8-6-9-11-15/h6,8-11,13,16H,4-5,7,12,14H2,1-3H3/b17-13+
InChIKeyWLPZUNYRBVKDSJ-GHRIWEEISA-N
XLogP3.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde
CID 11095768
(S)-N'-(2-(Benzyloxy)propylidene)formohydrazide
CID 54011714
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518409
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954
N-[(E)-[(2R)-3,3-difluoro-2-phenylmethoxybutylidene]amino]-N-methylmethanamine
CID 15038955
(4-fluorophenyl)methyl (1Z)-N-methylidenepropanehydrazonate
CID 130371570
(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine
CID 146675162
(NE)-N-[(2S)-2-phenylmethoxypropylidene]hydroxylamine
CID 11052224
4-benzyloxybutanal N-t-butylimine
CID 14283127
N-benzyl-2-phenylmethoxyheptan-1-imine
CID 15727242
(NE)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 21575552

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine (CID 134877010) is N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine is CCCCCC(/C=N/N(C)C)OCc1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine?
The InChIKey is WLPZUNYRBVKDSJ-GHRIWEEISA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-7-12-16(13-17-18(2)3)19-14-15-10-8-6-9-11-15/h6,8-11,13,16H,4-5,7,12,14H2,1-3H3/b17-13+.
What are the key properties of N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine?
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine has a molecular weight of 262.40 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine is sourced from PubChem (CID 134877010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).