N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine

C15H18ClN3 — CID 114146705

IUPACN-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
SMILESClC1CCCC(CNc2cnc3ccccc3n2)C1
InChIInChI=1S/C15H18ClN3/c16-12-5-3-4-11(8-12)9-18-15-10-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12H,3-5,8-9H2,(H,18,19)
InChIKeyYKNYYFSTBXKEFQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.84
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine

N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine (PubChem CID 114146705) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
PubChem CID114146705
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
SMILESClC1CCCC(CNc2cnc3ccccc3n2)C1
InChIInChI=1S/C15H18ClN3/c16-12-5-3-4-11(8-12)9-18-15-10-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12H,3-5,8-9H2,(H,18,19)
InChIKeyYKNYYFSTBXKEFQ-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.84
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

N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
CID 106125259
N-[(3-chlorocyclopentyl)methyl]-1,2,4-benzotriazin-3-amine
CID 114146607
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
CID 95328023
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
CID 106129278

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine (CID 114146705) is N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine is ClC1CCCC(CNc2cnc3ccccc3n2)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine?
The InChIKey is YKNYYFSTBXKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-12-5-3-4-11(8-12)9-18-15-10-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12H,3-5,8-9H2,(H,18,19).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine?
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 114146705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).