N-(quinoxalin-2-ylmethyl)hexan-2-amine

C15H21N3 — CID 55050397

IUPACN-(quinoxalin-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1cnc2ccccc2n1
InChIInChI=1S/C15H21N3/c1-3-4-7-12(2)16-10-13-11-17-14-8-5-6-9-15(14)18-13/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3
InChIKeyGBACFVLGEDCENV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.30
Rot. Bonds6

About N-(quinoxalin-2-ylmethyl)hexan-2-amine

N-(quinoxalin-2-ylmethyl)hexan-2-amine (PubChem CID 55050397) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(quinoxalin-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(quinoxalin-2-ylmethyl)hexan-2-amine
PubChem CID55050397
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(quinoxalin-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1cnc2ccccc2n1
InChIInChI=1S/C15H21N3/c1-3-4-7-12(2)16-10-13-11-17-14-8-5-6-9-15(14)18-13/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3
InChIKeyGBACFVLGEDCENV-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-2-ylmethyl)hexan-2-amine?
The IUPAC name of N-(quinoxalin-2-ylmethyl)hexan-2-amine (CID 55050397) is N-(quinoxalin-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for N-(quinoxalin-2-ylmethyl)hexan-2-amine?
The canonical SMILES for N-(quinoxalin-2-ylmethyl)hexan-2-amine is CCCCC(C)NCc1cnc2ccccc2n1.
What is the InChIKey of N-(quinoxalin-2-ylmethyl)hexan-2-amine?
The InChIKey is GBACFVLGEDCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-7-12(2)16-10-13-11-17-14-8-5-6-9-15(14)18-13/h5-6,8-9,11-12,16H,3-4,7,10H2,1-2H3.
What are the key properties of N-(quinoxalin-2-ylmethyl)hexan-2-amine?
N-(quinoxalin-2-ylmethyl)hexan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 55050397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).