2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine

C22H31N3 — CID 142230059

IUPAC2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine
SMILESCCC1CCC(CC/C=C/c2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C22H31N3/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3/h6-8,10-12,17-18H,4-5,9,13-16H2,1-3H3/b12-8+
InChIKeyPFVFDPVHXJXEQH-XYOKQWHBSA-N
MW337.51 g/mol
LogP5.71
Rot. Bonds6

About 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine

2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 142230059) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine
PubChem CID142230059
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine
SMILESCCC1CCC(CC/C=C/c2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C22H31N3/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3/h6-8,10-12,17-18H,4-5,9,13-16H2,1-3H3/b12-8+
InChIKeyPFVFDPVHXJXEQH-XYOKQWHBSA-N
XLogP5.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
2-[4-(dimethylamino)quinazolin-2-yl]acetaldehyde
CID 87350562
2-N-[4-[6-[4-(dimethylamino)phenyl]hexyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142231011
N-[(Z)-1-chlorobutan-2-ylideneamino]-N-methylmethanamine;1,4-dipropylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142231303
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine (CID 142230059) is 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine is CCC1CCC(CC/C=C/c2nc(N(C)C)c3ccccc3n2)CC1.
What is the InChIKey of 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is PFVFDPVHXJXEQH-XYOKQWHBSA-N. The full InChI is InChI=1S/C22H31N3/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3/h6-8,10-12,17-18H,4-5,9,13-16H2,1-3H3/b12-8+.
What are the key properties of 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine?
2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 337.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 142230059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).