4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine

C44H60F6N4O — CID 161062729

IUPAC4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine
SMILESCCCCC1(N(C)C)CCC(=O)CC1.CCCCC1(N(C)C)CCC(c2[nH]c3ccc(C(F)(F)F)cc3c2C)(c2[nH]c3ccc(C(F)(F)F)cc3c2C)CC1
InChIInChI=1S/C32H37F6N3.C12H23NO/c1-6-7-12-29(41(4)5)13-15-30(16-14-29,27-19(2)23-17-21(31(33,34)35)8-10-25(23)39-27)28-20(3)24-18-22(32(36,37)38)9-11-26(24)40-28;1-4-5-8-12(13(2)3)9-6-11(14)7-10-12/h8-11,17-18,39-40H,6-7,12-16H2,1-5H3;4-10H2,1-3H3
InChIKeyUDPJJASKIORURW-UHFFFAOYSA-N
MW774.98 g/mol
LogP12.27
Rot. Bonds10

About 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine

4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine (PubChem CID 161062729) has the molecular formula C44H60F6N4O and a molecular weight of 774.98 g/mol. Its IUPAC name is 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine
PubChem CID161062729
Molecular FormulaC44H60F6N4O
Molecular Weight774.98 g/mol
Exact Mass774.47
IUPAC Name4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine
SMILESCCCCC1(N(C)C)CCC(=O)CC1.CCCCC1(N(C)C)CCC(c2[nH]c3ccc(C(F)(F)F)cc3c2C)(c2[nH]c3ccc(C(F)(F)F)cc3c2C)CC1
InChIInChI=1S/C32H37F6N3.C12H23NO/c1-6-7-12-29(41(4)5)13-15-30(16-14-29,27-19(2)23-17-21(31(33,34)35)8-10-25(23)39-27)28-20(3)24-18-22(32(36,37)38)9-11-26(24)40-28;1-4-5-8-12(13(2)3)9-6-11(14)7-10-12/h8-11,17-18,39-40H,6-7,12-16H2,1-5H3;4-10H2,1-3H3
InChIKeyUDPJJASKIORURW-UHFFFAOYSA-N
XLogP12.27
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.98
LogP ≤ 512.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-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

4-fluoro-3-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
CID 44535425
3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one
CID 44535519
7-fluoro-3-[4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methyl-1H-indol-2-one
CID 44535520
(S)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(propylamino)ethyl)-1H-indol-5-yl)-2-methylpropan-1-one
CID 53317952
N-[2-(9H-carbazol-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 145968352
1-(4-Fluorophenyl)-4-spiro[1,2,4,9-tetrahydrocarbazole-3,2'-pyrrolidine]-1'-ylbutan-1-one
CID 172437354
5-tert-Butyl-9-methyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione
CID 397880
3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole
CID 134849766
N-[4'-(dimethylamino)-4'-(3-fluorophenyl)spiro[2,3,4,9-tetrahydrocarbazole-1,1'-cyclohexane]-3-yl]-3-phenylpropanamide
CID 44237857
1-butyl-4,4-bis(5-fluoro-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohexanamine
CID 44512840
1-[2-[2-[4-butyl-4-(dimethylamino)-1-(5-fluoro-3-methyl-1H-indol-2-yl)cyclohexyl]-1H-indol-3-yl]ethyl]-3-phenylurea
CID 44514437
1-butyl-N,N-dimethyl-4,4-bis(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)cyclohexanamine
CID 44517568

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine (CID 161062729) is 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine is CCCCC1(N(C)C)CCC(=O)CC1.CCCCC1(N(C)C)CCC(c2[nH]c3ccc(C(F)(F)F)cc3c2C)(c2[nH]c3ccc(C(F)(F)F)cc3c2C)CC1.
What is the InChIKey of 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine?
The InChIKey is UDPJJASKIORURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N3.C12H23NO/c1-6-7-12-29(41(4)5)13-15-30(16-14-29,27-19(2)23-17-21(31(33,34)35)8-10-25(23)39-27)28-20(3)24-18-22(32(36,37)38)9-11-26(24)40-28;1-4-5-8-12(13(2)3)9-6-11(14)7-10-12/h8-11,17-18,39-40H,6-7,12-16H2,1-5H3;4-10H2,1-3H3.
What are the key properties of 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine?
4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine has a molecular weight of 774.98 g/mol, XLogP of 12.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-(dimethylamino)cyclohexan-1-one;1-butyl-N,N-dimethyl-4,4-bis[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 161062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).