N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine

C14H22BrN3 — CID 79717543

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
SMILESCc1cc(Br)cnc1N(CCN)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-11-9-12(15)10-17-14(11)18(8-7-16)13-5-3-2-4-6-13/h9-10,13H,2-8,16H2,1H3
InChIKeyGMZJCMIUMUJLHA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.25
Rot. Bonds4

About N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine (PubChem CID 79717543) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
PubChem CID79717543
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine
SMILESCc1cc(Br)cnc1N(CCN)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-11-9-12(15)10-17-14(11)18(8-7-16)13-5-3-2-4-6-13/h9-10,13H,2-8,16H2,1H3
InChIKeyGMZJCMIUMUJLHA-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
PETT deriv. 6
CID 492697
1-(2-bromophenyl)-3-[(3R)-1-(5-methylpyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768251
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
1-(5-bromo-2-pyridyl)-3-[(1R)-1-cyclohexylethyl]thiourea
CID 3002352
N-(2-amino-5-bromo-3-pyridinyl)-N-benzylideneamine
CID 838785
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
3-bromo-N-phenylpyridin-2-amine
CID 10610607

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine (CID 79717543) is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine is Cc1cc(Br)cnc1N(CCN)C1CCCCC1.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine?
The InChIKey is GMZJCMIUMUJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-9-12(15)10-17-14(11)18(8-7-16)13-5-3-2-4-6-13/h9-10,13H,2-8,16H2,1H3.
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine has a molecular weight of 312.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 79717543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).