(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine

C6H11BrN2 — CID 162367527

IUPAC(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1(Br)C2
InChIInChI=1S/C6H11BrN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2
InChIKeyDNACQOXPDUBLLI-UHFFFAOYSA-N
MW191.07 g/mol
LogP0.07
Rot. Bonds1

About (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine

(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (PubChem CID 162367527) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
PubChem CID162367527
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1(Br)C2
InChIInChI=1S/C6H11BrN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2
InChIKeyDNACQOXPDUBLLI-UHFFFAOYSA-N
XLogP0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
CID 162367515
(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
CID 162367528
[3-(fluoromethyl)azetidin-3-yl]methanamine
CID 105427144
3-[1-(aminomethyl)cyclopropyl]azetidin-3-ol
CID 130513389
[3-(4-methylpentyl)azetidin-3-yl]methanamine
CID 167294582
3,3-diethylazetidine;hydrochloride
CID 119032125
1-bromo-3-methylbicyclo[1.1.0]butane
CID 13300168
4-[4-(aminomethyl)oxan-4-yl]-3,3-dimethylpiperidin-4-ol
CID 114235679
(3-pyrrolidin-1-ylazetidin-3-yl)methanamine
CID 105430429
[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 139533721
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091
3-azatricyclo[3.1.1.11,5]octane
CID 105426981

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The IUPAC name of (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (CID 162367527) is (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.
What is the SMILES notation for (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The canonical SMILES for (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is NCC12CNCC1(Br)C2.
What is the InChIKey of (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The InChIKey is DNACQOXPDUBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2.
What are the key properties of (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine has a molecular weight of 191.07 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is sourced from PubChem (CID 162367527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).