6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine

C19H31NS — CID 79206748

IUPAC6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCC1Cc2ccccc2S1)C(C)(C)C
InChIInChI=1S/C19H31NS/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3
InChIKeySIJLCEGFXDQSSV-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.29
Rot. Bonds7

About 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine

6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine (PubChem CID 79206748) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
PubChem CID79206748
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCC1Cc2ccccc2S1)C(C)(C)C
InChIInChI=1S/C19H31NS/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3
InChIKeySIJLCEGFXDQSSV-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 66363664
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 79228809
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
6-(2,3-dihydro-1-benzothiophen-2-yl)hexan-3-one
CID 79224746
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine
CID 79227438
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine (CID 79206748) is 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine is CCCNC(CCCC1Cc2ccccc2S1)C(C)(C)C.
What is the InChIKey of 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The InChIKey is SIJLCEGFXDQSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3.
What are the key properties of 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine has a molecular weight of 305.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzothiophen-2-yl)-2,2-dimethyl-N-propylhexan-3-amine is sourced from PubChem (CID 79206748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).