1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine

C14H21N3 — CID 117335130

IUPAC1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine
SMILESCN1CCN(C)c2c(CC3(N)CC3)cccc21
InChIInChI=1S/C14H21N3/c1-16-8-9-17(2)13-11(4-3-5-12(13)16)10-14(15)6-7-14/h3-5H,6-10,15H2,1-2H3
InChIKeyMBQUGRPYDUSIIH-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.61
Rot. Bonds2

About 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine

1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117335130) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine
PubChem CID117335130
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine
SMILESCN1CCN(C)c2c(CC3(N)CC3)cccc21
InChIInChI=1S/C14H21N3/c1-16-8-9-17(2)13-11(4-3-5-12(13)16)10-14(15)6-7-14/h3-5H,6-10,15H2,1-2H3
InChIKeyMBQUGRPYDUSIIH-UHFFFAOYSA-N
XLogP1.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile
CID 84776377
1-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117436099
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol
CID 117314757
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propanoic acid
CID 82389702
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine
CID 117307071
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one
CID 117360233
1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
CID 117405881
1-[(2-phenylphenyl)methyl]cyclopropan-1-amine
CID 117320738

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine (CID 117335130) is 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine is CN1CCN(C)c2c(CC3(N)CC3)cccc21.
What is the InChIKey of 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is MBQUGRPYDUSIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-8-9-17(2)13-11(4-3-5-12(13)16)10-14(15)6-7-14/h3-5H,6-10,15H2,1-2H3.
What are the key properties of 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine?
1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117335130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).