1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine

C24H29NS — CID 139563389

IUPAC1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESC=C(CCC(=C)c1ccccc1CN(C)C)c1ccc2c(c1)SCCC2
InChIInChI=1S/C24H29NS/c1-18(21-14-13-20-9-7-15-26-24(20)16-21)11-12-19(2)23-10-6-5-8-22(23)17-25(3)4/h5-6,8,10,13-14,16H,1-2,7,9,11-12,15,17H2,3-4H3
InChIKeyFVCHARWYMFFBAK-UHFFFAOYSA-N
MW363.57 g/mol
LogP6.29
Rot. Bonds7

About 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine

1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 139563389) has the molecular formula C24H29NS and a molecular weight of 363.57 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID139563389
Molecular FormulaC24H29NS
Molecular Weight363.57 g/mol
Exact Mass363.20
IUPAC Name1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESC=C(CCC(=C)c1ccccc1CN(C)C)c1ccc2c(c1)SCCC2
InChIInChI=1S/C24H29NS/c1-18(21-14-13-20-9-7-15-26-24(20)16-21)11-12-19(2)23-10-6-5-8-22(23)17-25(3)4/h5-6,8,10,13-14,16H,1-2,7,9,11-12,15,17H2,3-4H3
InChIKeyFVCHARWYMFFBAK-UHFFFAOYSA-N
XLogP6.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

7-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3,4-dihydro-2H-thiochromene
CID 139563174
7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
CID 139563188
2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563257
5-(5-phenylhexa-1,5-dien-2-yl)-2,3-dihydro-1-benzothiophene
CID 138480486
2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
CID 13144288
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
CID 142073226
1-[2-[1-(1H-indol-5-yl)ethenyl]phenyl]-N,N-dimethylmethanamine
CID 89110567
2-(3,4-dihydro-2H-thiochromen-7-yl)propan-1-ol
CID 117298054
[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
CID 115229206
3,4-dihydro-2H-thiochromene;N,N-dipropylhydroxylamine
CID 19770849
6-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-3H-indole
CID 139563239
3,4-dihydro-2H-thiochromen-7-ylboronic acid
CID 171485502

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine (CID 139563389) is 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine is C=C(CCC(=C)c1ccccc1CN(C)C)c1ccc2c(c1)SCCC2.
What is the InChIKey of 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is FVCHARWYMFFBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NS/c1-18(21-14-13-20-9-7-15-26-24(20)16-21)11-12-19(2)23-10-6-5-8-22(23)17-25(3)4/h5-6,8,10,13-14,16H,1-2,7,9,11-12,15,17H2,3-4H3.
What are the key properties of 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 363.57 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dihydro-2H-thiochromen-7-yl)hexa-1,5-dien-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 139563389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).