N-methyl-1-quinoxalin-5-ylheptan-1-amine

C16H23N3 — CID 105126260

IUPACN-methyl-1-quinoxalin-5-ylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc2nccnc12
InChIInChI=1S/C16H23N3/c1-3-4-5-6-9-14(17-2)13-8-7-10-15-16(13)19-12-11-18-15/h7-8,10-12,14,17H,3-6,9H2,1-2H3
InChIKeyKCTVBFLIIGQOES-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds7

About N-methyl-1-quinoxalin-5-ylheptan-1-amine

N-methyl-1-quinoxalin-5-ylheptan-1-amine (PubChem CID 105126260) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-quinoxalin-5-ylheptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinoxalin-5-ylheptan-1-amine
PubChem CID105126260
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-quinoxalin-5-ylheptan-1-amine
SMILESCCCCCCC(NC)c1cccc2nccnc12
InChIInChI=1S/C16H23N3/c1-3-4-5-6-9-14(17-2)13-8-7-10-15-16(13)19-12-11-18-15/h7-8,10-12,14,17H,3-6,9H2,1-2H3
InChIKeyKCTVBFLIIGQOES-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
CID 105165419
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
4-methoxy-N,4-dimethyl-1-quinoxalin-5-ylpentan-1-amine
CID 103032278
N-methyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105158086
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinoxalin-5-ylheptan-1-amine?
The IUPAC name of N-methyl-1-quinoxalin-5-ylheptan-1-amine (CID 105126260) is N-methyl-1-quinoxalin-5-ylheptan-1-amine.
What is the SMILES notation for N-methyl-1-quinoxalin-5-ylheptan-1-amine?
The canonical SMILES for N-methyl-1-quinoxalin-5-ylheptan-1-amine is CCCCCCC(NC)c1cccc2nccnc12.
What is the InChIKey of N-methyl-1-quinoxalin-5-ylheptan-1-amine?
The InChIKey is KCTVBFLIIGQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-5-6-9-14(17-2)13-8-7-10-15-16(13)19-12-11-18-15/h7-8,10-12,14,17H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-1-quinoxalin-5-ylheptan-1-amine?
N-methyl-1-quinoxalin-5-ylheptan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinoxalin-5-ylheptan-1-amine is sourced from PubChem (CID 105126260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).