N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine

C17H28N2O2 — CID 134877011

IUPACN-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
SMILESCCCCCC(/C=N/N(C)C)OCOCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-5-7-12-17(13-18-19(2)3)21-15-20-14-16-10-8-6-9-11-16/h6,8-11,13,17H,4-5,7,12,14-15H2,1-3H3/b18-13+
InChIKeyFKWBTFJBYJHQBM-QGOAFFKASA-N
MW292.42 g/mol
LogP3.67
Rot. Bonds11

About N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine

N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine (PubChem CID 134877011) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
PubChem CID134877011
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
SMILESCCCCCC(/C=N/N(C)C)OCOCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-4-5-7-12-17(13-18-19(2)3)21-15-20-14-16-10-8-6-9-11-16/h6,8-11,13,17H,4-5,7,12,14-15H2,1-3H3/b18-13+
InChIKeyFKWBTFJBYJHQBM-QGOAFFKASA-N
XLogP3.67
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(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
(2S)-2-phenylmethoxy-N-prop-2-enylbutan-1-imine
CID 44244532
[(3R)-11-diazo-2,6,9,9-tetramethylundeca-1,6,7-trien-3-yl]oxymethylbenzene
CID 102344555
(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
CID 134871033
(E,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-N-pyrrolidin-1-ylethanimine
CID 134875011
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
CID 134876798
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010
N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883603
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883782
(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
CID 134892247
2-(Benzyloxymethoxy)propanal oxime
CID 9602252

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine (CID 134877011) is N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine is CCCCCC(/C=N/N(C)C)OCOCc1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine?
The InChIKey is FKWBTFJBYJHQBM-QGOAFFKASA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-7-12-17(13-18-19(2)3)21-15-20-14-16-10-8-6-9-11-16/h6,8-11,13,17H,4-5,7,12,14-15H2,1-3H3/b18-13+.
What are the key properties of N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine?
N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine has a molecular weight of 292.42 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine is sourced from PubChem (CID 134877011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).