N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine

C10H11BrN2O2 — CID 11054766

IUPACN-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrN2O2/c1-13(2)12-5-7-3-9-10(4-8(7)11)15-6-14-9/h3-5H,6H2,1-2H3/b12-5+
InChIKeyQSAJMVXCQPFHAV-LFYBBSHMSA-N
MW271.11 g/mol
LogP2.07
Rot. Bonds2

About N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine

N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine (PubChem CID 11054766) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine
PubChem CID11054766
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H11BrN2O2/c1-13(2)12-5-7-3-9-10(4-8(7)11)15-6-14-9/h3-5H,6H2,1-2H3/b12-5+
InChIKeyQSAJMVXCQPFHAV-LFYBBSHMSA-N
XLogP2.07
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058519
1-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimine
CID 1377883
5-bromo-6-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 166445962
(2S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxypropanamide
CID 900184
1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-ethylthiourea
CID 6151911
N,N'-bis[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide
CID 6162466
(E)-1-(6-bromo-1,3-benzodioxol-5-yl)-N-phenylmethoxymethanimine
CID 88567097
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873841
3-N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 3706449
1-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]tetrazol-5-amine
CID 3626504
methyl 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
CID 3103209
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-chloroaniline
CID 9076539

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine (CID 11054766) is N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine is CN(C)/N=C/c1cc2c(cc1Br)OCO2.
What is the InChIKey of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine?
The InChIKey is QSAJMVXCQPFHAV-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13(2)12-5-7-3-9-10(4-8(7)11)15-6-14-9/h3-5H,6H2,1-2H3/b12-5+.
What are the key properties of N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine?
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine has a molecular weight of 271.11 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 11054766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).