4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine

C6H11BrN2 — CID 146674793

IUPAC4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCCC(CBr)C1
InChIInChI=1S/C6H11BrN2/c7-4-5-1-2-9-6(8)3-5/h5H,1-4H2,(H2,8,9)
InChIKeyKFHWLXUVGAUFIW-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.15
Rot. Bonds1

About 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine

4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 146674793) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID146674793
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCCC(CBr)C1
InChIInChI=1S/C6H11BrN2/c7-4-5-1-2-9-6(8)3-5/h5H,1-4H2,(H2,8,9)
InChIKeyKFHWLXUVGAUFIW-UHFFFAOYSA-N
XLogP1.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721014
4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259654
4-tert-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721006
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
magnesium;bromomethylcyclopentane;hydride
CID 173045510
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
3-(bromomethyl)cyclohexan-1-amine
CID 89245957
[5-(cyclopropylmethyl)-3,4-dihydro-2H-pyrrol-4-yl]methanamine
CID 163568043
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521586
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710
2-(cyclohexylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 10799502

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 146674793) is 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine is NC1=NCCC(CBr)C1.
What is the InChIKey of 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is KFHWLXUVGAUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2/c7-4-5-1-2-9-6(8)3-5/h5H,1-4H2,(H2,8,9).
What are the key properties of 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine?
4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 191.07 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 146674793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).