N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine

C14H21N3 — CID 91198036

IUPACN,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine
SMILESCC(C)CC1=NC2C=CC=CC2N=C1N(C)C
InChIInChI=1S/C14H21N3/c1-10(2)9-13-14(17(3)4)16-12-8-6-5-7-11(12)15-13/h5-8,10-12H,9H2,1-4H3
InChIKeyOCYHNNIPIOGVSP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds2

About N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine

N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine (PubChem CID 91198036) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine
PubChem CID91198036
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine
SMILESCC(C)CC1=NC2C=CC=CC2N=C1N(C)C
InChIInChI=1S/C14H21N3/c1-10(2)9-13-14(17(3)4)16-12-8-6-5-7-11(12)15-13/h5-8,10-12H,9H2,1-4H3
InChIKeyOCYHNNIPIOGVSP-UHFFFAOYSA-N
XLogP2.31
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-4a,8a-dihydroquinazoline
CID 21014293
2-butyl-4a,8a-dihydro-4H-quinazolin-4-ide;yttrium
CID 58596027
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228892
2-butyl-4a,8a-dihydro-4H-quinazolin-4-ide;yttrium(3+)
CID 21014292

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine (CID 91198036) is N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine is CC(C)CC1=NC2C=CC=CC2N=C1N(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine?
The InChIKey is OCYHNNIPIOGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)9-13-14(17(3)4)16-12-8-6-5-7-11(12)15-13/h5-8,10-12H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine?
N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine is sourced from PubChem (CID 91198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).