N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine

C12H15BrN2 — CID 130909438

IUPACN-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
SMILESBrc1cnccc1NC1C2CCCCC21
InChIInChI=1S/C12H15BrN2/c13-10-7-14-6-5-11(10)15-12-8-3-1-2-4-9(8)12/h5-9,12H,1-4H2,(H,14,15)
InChIKeyGMRHRGOUWSASLE-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.44
Rot. Bonds2

About N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine

N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine (PubChem CID 130909438) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
PubChem CID130909438
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
SMILESBrc1cnccc1NC1C2CCCCC21
InChIInChI=1S/C12H15BrN2/c13-10-7-14-6-5-11(10)15-12-8-3-1-2-4-9(8)12/h5-9,12H,1-4H2,(H,14,15)
InChIKeyGMRHRGOUWSASLE-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
CID 104776650
3-bromo-N-(2-methylpiperidin-3-yl)pyridin-4-amine
CID 114695454
N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
CID 130934708
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
CID 130719191
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
3-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-4-amine
CID 104777001
3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
CID 104777009
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
3-bromo-N-(2,2-dimethylthietan-3-yl)pyridin-4-amine
CID 130636107
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine?
The IUPAC name of N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine (CID 130909438) is N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine?
The canonical SMILES for N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine is Brc1cnccc1NC1C2CCCCC21.
What is the InChIKey of N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine?
The InChIKey is GMRHRGOUWSASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-7-14-6-5-11(10)15-12-8-3-1-2-4-9(8)12/h5-9,12H,1-4H2,(H,14,15).
What are the key properties of N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine?
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine has a molecular weight of 267.17 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine is sourced from PubChem (CID 130909438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).