1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine

C13H20BrN3 — CID 114046704

IUPAC1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
SMILESCc1nc(NC2CCCCCC2N)ccc1Br
InChIInChI=1S/C13H20BrN3/c1-9-10(14)7-8-13(16-9)17-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H,16,17)
InChIKeyJJMWDNPCPJUVRD-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.22
Rot. Bonds2

About 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine

1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine (PubChem CID 114046704) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
PubChem CID114046704
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
SMILESCc1nc(NC2CCCCCC2N)ccc1Br
InChIInChI=1S/C13H20BrN3/c1-9-10(14)7-8-13(16-9)17-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H,16,17)
InChIKeyJJMWDNPCPJUVRD-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(chloromethyl)cyclopentyl]-6-methylpyridin-2-amine
CID 106365396
trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
CID 130736526
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
CID 114869475
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486
trans-(1S,2S)-2-N-(2-chloro-6-methylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97162846
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
cis-(1R,2S)-2-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97164944
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 79048598

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine (CID 114046704) is 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine is Cc1nc(NC2CCCCCC2N)ccc1Br.
What is the InChIKey of 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine?
The InChIKey is JJMWDNPCPJUVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-10(14)7-8-13(16-9)17-12-6-4-2-3-5-11(12)15/h7-8,11-12H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine?
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine has a molecular weight of 298.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine is sourced from PubChem (CID 114046704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).