N-bromo-N-(2-methylpropylideneamino)methanamine

C5H11BrN2 — CID 123753920

IUPACN-bromo-N-(2-methylpropylideneamino)methanamine
SMILESCC(C)C=NN(C)Br
InChIInChI=1S/C5H11BrN2/c1-5(2)4-7-8(3)6/h4-5H,1-3H3
InChIKeyRNGISUMYCPFNBH-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.87
Rot. Bonds2

About N-bromo-N-(2-methylpropylideneamino)methanamine

N-bromo-N-(2-methylpropylideneamino)methanamine (PubChem CID 123753920) has the molecular formula C5H11BrN2 and a molecular weight of 179.06 g/mol. Its IUPAC name is N-bromo-N-(2-methylpropylideneamino)methanamine.

Molecular Properties

Compound NameN-bromo-N-(2-methylpropylideneamino)methanamine
PubChem CID123753920
Molecular FormulaC5H11BrN2
Molecular Weight179.06 g/mol
Exact Mass178.01
IUPAC NameN-bromo-N-(2-methylpropylideneamino)methanamine
SMILESCC(C)C=NN(C)Br
InChIInChI=1S/C5H11BrN2/c1-5(2)4-7-8(3)6/h4-5H,1-3H3
InChIKeyRNGISUMYCPFNBH-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446
2-methyl-N-[(Z)-2-methylpropylideneamino]-N-propan-2-ylpropan-1-amine
CID 5372620
2-(2-methylpropylideneamino)-N,N-bis[2-(2-methylpropylideneamino)ethyl]ethanamine
CID 102382107
(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine
CID 91540977
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
N-bromo-N-methylmethanamine;hydrobromide
CID 146445512
2-methyl-N-(2-methylpropylideneamino)propan-2-amine
CID 54524239
N-methyl-N-[(Z)-propylideneamino]propan-2-amine
CID 167054285
2-methyl-N-[(E)-2-methylpropylideneamino]propan-2-amine
CID 13183553
2-methyl-1-sulfinoiminopropane
CID 147140394
1-[(E)-2-aminopropylideneamino]-1-methylthiourea
CID 142935969

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-(2-methylpropylideneamino)methanamine?
The IUPAC name of N-bromo-N-(2-methylpropylideneamino)methanamine (CID 123753920) is N-bromo-N-(2-methylpropylideneamino)methanamine.
What is the SMILES notation for N-bromo-N-(2-methylpropylideneamino)methanamine?
The canonical SMILES for N-bromo-N-(2-methylpropylideneamino)methanamine is CC(C)C=NN(C)Br.
What is the InChIKey of N-bromo-N-(2-methylpropylideneamino)methanamine?
The InChIKey is RNGISUMYCPFNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrN2/c1-5(2)4-7-8(3)6/h4-5H,1-3H3.
What are the key properties of N-bromo-N-(2-methylpropylideneamino)methanamine?
N-bromo-N-(2-methylpropylideneamino)methanamine has a molecular weight of 179.06 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-(2-methylpropylideneamino)methanamine is sourced from PubChem (CID 123753920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).