N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine

C17H23N3S — CID 79866369

IUPACN-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1C(Sc2ncnc3ccccc23)CCC1(C)C
InChIInChI=1S/C17H23N3S/c1-4-18-15-14(9-10-17(15,2)3)21-16-12-7-5-6-8-13(12)19-11-20-16/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyLVEUDOTVGKTLKK-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.89
Rot. Bonds4

About N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine (PubChem CID 79866369) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
PubChem CID79866369
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1C(Sc2ncnc3ccccc23)CCC1(C)C
InChIInChI=1S/C17H23N3S/c1-4-18-15-14(9-10-17(15,2)3)21-16-12-7-5-6-8-13(12)19-11-20-16/h5-8,11,14-15,18H,4,9-10H2,1-3H3
InChIKeyLVEUDOTVGKTLKK-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine (CID 79866369) is N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine is CCNC1C(Sc2ncnc3ccccc23)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine?
The InChIKey is LVEUDOTVGKTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-18-15-14(9-10-17(15,2)3)21-16-12-7-5-6-8-13(12)19-11-20-16/h5-8,11,14-15,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 79866369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).