[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine

C14H20ClN3 — CID 134243613

IUPAC[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCC1C(C2CCC(Cl)CC2)N=C2C=CC=CN21
InChIInChI=1S/C14H20ClN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-3,8,10-12,14H,4-7,9,16H2
InChIKeyHJGXTCALWIFCQC-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.28
Rot. Bonds2

About [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 134243613) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID134243613
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCC1C(C2CCC(Cl)CC2)N=C2C=CC=CN21
InChIInChI=1S/C14H20ClN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-3,8,10-12,14H,4-7,9,16H2
InChIKeyHJGXTCALWIFCQC-UHFFFAOYSA-N
XLogP2.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroimidazo[1,2-a]pyridin-3-ol
CID 170038851
(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
CID 90815671
3-ethyl-3H-imidazo[1,2-a]pyridin-2-one
CID 59176751
diethyl 2-[cyclohexyl-(2-ethoxy-2-oxoacetyl)amino]-4H-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate
CID 102077596
[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
CID 105475990
3-benzyl-4-phenyl-4H-pyrido[1,2-a][1,3,5]triazine-2-thione
CID 12867034
[2-(4-chloropyrazol-1-yl)cyclobutyl]methanamine
CID 81004995
[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanamine
CID 112709497
[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 105454790
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[2-(aminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103805999

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine (CID 134243613) is [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine is NCC1C(C2CCC(Cl)CC2)N=C2C=CC=CN21.
What is the InChIKey of [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is HJGXTCALWIFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-3,8,10-12,14H,4-7,9,16H2.
What are the key properties of [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 265.79 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorocyclohexyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 134243613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).