N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine

C15H20ClN3 — CID 106354521

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
SMILESCC(C)(C)C(CCCl)Nc1cnc2ccccc2n1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)13(8-9-16)19-14-10-17-11-6-4-5-7-12(11)18-14/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)
InChIKeyDFJQAZMYVJOWJL-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.09
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine

N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine (PubChem CID 106354521) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
PubChem CID106354521
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
SMILESCC(C)(C)C(CCCl)Nc1cnc2ccccc2n1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)13(8-9-16)19-14-10-17-11-6-4-5-7-12(11)18-14/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)
InChIKeyDFJQAZMYVJOWJL-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.09
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-(1-chloro-4,4-dimethylpentan-3-yl)-1,2,4-benzotriazin-3-amine
CID 114177630
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354398
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
N-(2-methylbutan-2-yl)quinoxalin-2-amine
CID 22341074
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-iodopyrimidin-2-amine
CID 106354463
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 106354400

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine (CID 106354521) is N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine is CC(C)(C)C(CCCl)Nc1cnc2ccccc2n1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine?
The InChIKey is DFJQAZMYVJOWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-15(2,3)13(8-9-16)19-14-10-17-11-6-4-5-7-12(11)18-14/h4-7,10,13H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine?
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine is sourced from PubChem (CID 106354521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).