N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine

C18H27NS — CID 146284401

IUPACN-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine
SMILESC=C(NCC1CC1)c1c(C)sc2c1CC(CCC)CC2
InChIInChI=1S/C18H27NS/c1-4-5-14-8-9-17-16(10-14)18(13(3)20-17)12(2)19-11-15-6-7-15/h14-15,19H,2,4-11H2,1,3H3
InChIKeyMFHKAONYIFYFNG-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.93
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine

N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine (PubChem CID 146284401) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine
PubChem CID146284401
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine
SMILESC=C(NCC1CC1)c1c(C)sc2c1CC(CCC)CC2
InChIInChI=1S/C18H27NS/c1-4-5-14-8-9-17-16(10-14)18(13(3)20-17)12(2)19-11-15-6-7-15/h14-15,19H,2,4-11H2,1,3H3
InChIKeyMFHKAONYIFYFNG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine (CID 146284401) is N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine is C=C(NCC1CC1)c1c(C)sc2c1CC(CCC)CC2.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine?
The InChIKey is MFHKAONYIFYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-4-5-14-8-9-17-16(10-14)18(13(3)20-17)12(2)19-11-15-6-7-15/h14-15,19H,2,4-11H2,1,3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine?
N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine has a molecular weight of 289.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methyl-5-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethenamine is sourced from PubChem (CID 146284401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).