N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine

C13H13BrN2 — CID 71537136

IUPACN-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccc2ccccc2c1Br
InChIInChI=1S/C13H13BrN2/c1-16(2)15-9-11-8-7-10-5-3-4-6-12(10)13(11)14/h3-9H,1-2H3/b15-9+
InChIKeyKHMOEGLMGGNUCZ-OQLLNIDSSA-N
MW277.17 g/mol
LogP3.50
Rot. Bonds2

About N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine

N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine (PubChem CID 71537136) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine
PubChem CID71537136
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC NameN-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1ccc2ccccc2c1Br
InChIInChI=1S/C13H13BrN2/c1-16(2)15-9-11-8-7-10-5-3-4-6-12(10)13(11)14/h3-9H,1-2H3/b15-9+
InChIKeyKHMOEGLMGGNUCZ-OQLLNIDSSA-N
XLogP3.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 87427277
N-[(1-bromonaphthalen-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 67510993
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
1-bromo-2-[(E)-2-nitroethenyl]naphthalene
CID 135381885
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
1-bromo-2-(difluoromethyl)naphthalene;1-bromonaphthalene-2-carbaldehyde
CID 161106897
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
CID 136951952
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
1-bromo-2-phenylnaphthalene
CID 10956972
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine (CID 71537136) is N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine is CN(C)/N=C/c1ccc2ccccc2c1Br.
What is the InChIKey of N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine?
The InChIKey is KHMOEGLMGGNUCZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-16(2)15-9-11-8-7-10-5-3-4-6-12(10)13(11)14/h3-9H,1-2H3/b15-9+.
What are the key properties of N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine?
N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine has a molecular weight of 277.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 71537136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).