N-heptan-2-ylquinoxalin-6-amine

C15H21N3 — CID 54863501

IUPACN-heptan-2-ylquinoxalin-6-amine
SMILESCCCCCC(C)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3/c1-3-4-5-6-12(2)18-13-7-8-14-15(11-13)17-10-9-16-14/h7-12,18H,3-6H2,1-2H3
InChIKeySHYGNIVXJSSDMO-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds6

About N-heptan-2-ylquinoxalin-6-amine

N-heptan-2-ylquinoxalin-6-amine (PubChem CID 54863501) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-heptan-2-ylquinoxalin-6-amine.

Molecular Properties

Compound NameN-heptan-2-ylquinoxalin-6-amine
PubChem CID54863501
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-heptan-2-ylquinoxalin-6-amine
SMILESCCCCCC(C)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H21N3/c1-3-4-5-6-12(2)18-13-7-8-14-15(11-13)17-10-9-16-14/h7-12,18H,3-6H2,1-2H3
InChIKeySHYGNIVXJSSDMO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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-hexan-2-ylquinolin-6-amine
CID 62636483
N-(4-methylpentan-2-yl)quinoxalin-6-amine
CID 54863402
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745099
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
2-methylsulfanyl-N-octan-2-yl-1,3-benzothiazol-6-amine
CID 63426863
3-(heptan-2-ylamino)phenol
CID 43207062
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
4-tert-butyl-N-octan-2-ylaniline
CID 43129735

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylquinoxalin-6-amine?
The IUPAC name of N-heptan-2-ylquinoxalin-6-amine (CID 54863501) is N-heptan-2-ylquinoxalin-6-amine.
What is the SMILES notation for N-heptan-2-ylquinoxalin-6-amine?
The canonical SMILES for N-heptan-2-ylquinoxalin-6-amine is CCCCCC(C)Nc1ccc2nccnc2c1.
What is the InChIKey of N-heptan-2-ylquinoxalin-6-amine?
The InChIKey is SHYGNIVXJSSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-5-6-12(2)18-13-7-8-14-15(11-13)17-10-9-16-14/h7-12,18H,3-6H2,1-2H3.
What are the key properties of N-heptan-2-ylquinoxalin-6-amine?
N-heptan-2-ylquinoxalin-6-amine has a molecular weight of 243.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylquinoxalin-6-amine is sourced from PubChem (CID 54863501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).