N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine

C17H22N4 — CID 114789417

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
SMILESCCN(c1ncc2ccccc2n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H22N4/c1-2-21(15-9-13-7-8-14(10-15)19-13)17-18-11-12-5-3-4-6-16(12)20-17/h3-6,11,13-15,19H,2,7-10H2,1H3
InChIKeyCLYSLZDQAUONCP-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.74
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine (PubChem CID 114789417) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
PubChem CID114789417
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
SMILESCCN(c1ncc2ccccc2n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H22N4/c1-2-21(15-9-13-7-8-14(10-15)19-13)17-18-11-12-5-3-4-6-16(12)20-17/h3-6,11,13-15,19H,2,7-10H2,1H3
InChIKeyCLYSLZDQAUONCP-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
CID 107552429
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
CID 61232507
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine (CID 114789417) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine is CCN(c1ncc2ccccc2n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine?
The InChIKey is CLYSLZDQAUONCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-21(15-9-13-7-8-14(10-15)19-13)17-18-11-12-5-3-4-6-16(12)20-17/h3-6,11,13-15,19H,2,7-10H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine is sourced from PubChem (CID 114789417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).