N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine

C16H21N3S — CID 64716116

IUPACN-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ncnc3ccccc23)C1
InChIInChI=1S/C16H21N3S/c1-2-17-12-6-5-7-13(10-12)20-16-14-8-3-4-9-15(14)18-11-19-16/h3-4,8-9,11-13,17H,2,5-7,10H2,1H3
InChIKeyMKOBSUXQWXDDOK-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine

N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine (PubChem CID 64716116) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
PubChem CID64716116
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ncnc3ccccc23)C1
InChIInChI=1S/C16H21N3S/c1-2-17-12-6-5-7-13(10-12)20-16-14-8-3-4-9-15(14)18-11-19-16/h3-4,8-9,11-13,17H,2,5-7,10H2,1H3
InChIKeyMKOBSUXQWXDDOK-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentylsulfanylquinazoline
CID 7160394
N-ethyl-2-methyl-3-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 64906743
N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 79866369
1-(ethylamino)-3-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
CID 79644882
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
CID 60893650
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64715489
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine (CID 64716116) is N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine is CCNC1CCCC(Sc2ncnc3ccccc23)C1.
What is the InChIKey of N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine?
The InChIKey is MKOBSUXQWXDDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-17-12-6-5-7-13(10-12)20-16-14-8-3-4-9-15(14)18-11-19-16/h3-4,8-9,11-13,17H,2,5-7,10H2,1H3.
What are the key properties of N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine?
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64716116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).