(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine

C32H49FN4 — CID 142229145

IUPAC(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESCC/C1=C/NC/C=C\C(F)=C/C1C.CCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H16FN.C11H13N3.C10H20/c1-3-10-8-13-6-4-5-11(12)7-9(10)2;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-5,7-9,13H,3,6H2,1-2H3;4-7H,1-3H3;9-10H,3-8H2,1-2H3/b5-4-,10-8-,11-7+;;
InChIKeyCOJCJLNYCVYBAP-SETDYABKSA-N
MW508.77 g/mol
LogP8.55
Rot. Bonds4

About (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine

(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229145) has the molecular formula C32H49FN4 and a molecular weight of 508.77 g/mol. Its IUPAC name is (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229145
Molecular FormulaC32H49FN4
Molecular Weight508.77 g/mol
Exact Mass508.39
IUPAC Name(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
SMILESCC/C1=C/NC/C=C\C(F)=C/C1C.CCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C11H16FN.C11H13N3.C10H20/c1-3-10-8-13-6-4-5-11(12)7-9(10)2;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-5,7-9,13H,3,6H2,1-2H3;4-7H,1-3H3;9-10H,3-8H2,1-2H3/b5-4-,10-8-,11-7+;;
InChIKeyCOJCJLNYCVYBAP-SETDYABKSA-N
XLogP8.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.77
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
2-butyl-6-methylpyridine;ethane;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142228214
N-[(Z)-1-chlorobutan-2-ylideneamino]-N-methylmethanamine;1,4-dipropylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142231303
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
ethene;1-(4-fluorophenyl)-4-[(4-methylcyclohexyl)methylamino]butan-1-ol;N,N,2-trimethylquinazolin-4-amine
CID 142229180
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142228408
1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine;4,4,4-tris(4-chlorophenyl)butan-2-one
CID 142228370
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine (CID 142229145) is (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine is CC/C1=C/NC/C=C\C(F)=C/C1C.CCCC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is COJCJLNYCVYBAP-SETDYABKSA-N. The full InChI is InChI=1S/C11H16FN.C11H13N3.C10H20/c1-3-10-8-13-6-4-5-11(12)7-9(10)2;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-3-4-10-7-5-9(2)6-8-10/h4-5,7-9,13H,3,6H2,1-2H3;4-7H,1-3H3;9-10H,3-8H2,1-2H3/b5-4-,10-8-,11-7+;;.
What are the key properties of (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine?
(3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 508.77 g/mol, XLogP of 8.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-8-ethyl-5-fluoro-7-methyl-2,7-dihydro-1H-azonine;1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).