3-N-quinoxalin-2-ylpentane-1,3-diamine

C13H18N4 — CID 113496622

IUPAC3-N-quinoxalin-2-ylpentane-1,3-diamine
SMILESCCC(CCN)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-2-10(7-8-14)16-13-9-15-11-5-3-4-6-12(11)17-13/h3-6,9-10H,2,7-8,14H2,1H3,(H,16,17)
InChIKeyITMCFCMBFUESPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.17
Rot. Bonds5

About 3-N-quinoxalin-2-ylpentane-1,3-diamine

3-N-quinoxalin-2-ylpentane-1,3-diamine (PubChem CID 113496622) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-N-quinoxalin-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-quinoxalin-2-ylpentane-1,3-diamine
PubChem CID113496622
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-N-quinoxalin-2-ylpentane-1,3-diamine
SMILESCCC(CCN)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H18N4/c1-2-10(7-8-14)16-13-9-15-11-5-3-4-6-12(11)17-13/h3-6,9-10H,2,7-8,14H2,1H3,(H,16,17)
InChIKeyITMCFCMBFUESPG-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
2,3-dimethyl-2-N-quinoxalin-2-ylbutane-1,2-diamine
CID 113284087
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
N-heptan-3-ylquinolin-3-amine
CID 63947322
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904

Frequently Asked Questions

What is the IUPAC name of 3-N-quinoxalin-2-ylpentane-1,3-diamine?
The IUPAC name of 3-N-quinoxalin-2-ylpentane-1,3-diamine (CID 113496622) is 3-N-quinoxalin-2-ylpentane-1,3-diamine.
What is the SMILES notation for 3-N-quinoxalin-2-ylpentane-1,3-diamine?
The canonical SMILES for 3-N-quinoxalin-2-ylpentane-1,3-diamine is CCC(CCN)Nc1cnc2ccccc2n1.
What is the InChIKey of 3-N-quinoxalin-2-ylpentane-1,3-diamine?
The InChIKey is ITMCFCMBFUESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-10(7-8-14)16-13-9-15-11-5-3-4-6-12(11)17-13/h3-6,9-10H,2,7-8,14H2,1H3,(H,16,17).
What are the key properties of 3-N-quinoxalin-2-ylpentane-1,3-diamine?
3-N-quinoxalin-2-ylpentane-1,3-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-quinoxalin-2-ylpentane-1,3-diamine is sourced from PubChem (CID 113496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).