1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride

C12H18Cl2N4 — CID 141390759

IUPAC1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
SMILESCCC(N)CNc1cnc2ccccc2n1.Cl.Cl
InChIInChI=1S/C12H16N4.2ClH/c1-2-9(13)7-15-12-8-14-10-5-3-4-6-11(10)16-12;;/h3-6,8-9H,2,7,13H2,1H3,(H,15,16);2*1H
InChIKeyZTXCANAGVZFWDW-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.62
Rot. Bonds4

About 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride

1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride (PubChem CID 141390759) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
PubChem CID141390759
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC Name1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
SMILESCCC(N)CNc1cnc2ccccc2n1.Cl.Cl
InChIInChI=1S/C12H16N4.2ClH/c1-2-9(13)7-15-12-8-14-10-5-3-4-6-11(10)16-12;;/h3-6,8-9H,2,7,13H2,1H3,(H,15,16);2*1H
InChIKeyZTXCANAGVZFWDW-UHFFFAOYSA-N
XLogP2.62
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
quinoxalin-2-ylhydrazine;hydrochloride
CID 18995251
N-[(1-propan-2-ylcyclopropyl)methyl]quinoxalin-2-amine
CID 114114989
3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine
CID 63732659
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 38006311

Frequently Asked Questions

What is the IUPAC name of 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride (CID 141390759) is 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride is CCC(N)CNc1cnc2ccccc2n1.Cl.Cl.
What is the InChIKey of 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride?
The InChIKey is ZTXCANAGVZFWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.2ClH/c1-2-9(13)7-15-12-8-14-10-5-3-4-6-11(10)16-12;;/h3-6,8-9H,2,7,13H2,1H3,(H,15,16);2*1H.
What are the key properties of 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride?
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 141390759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).