ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C22H30N2 — CID 157472089

IUPACethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(c1ccc2c(c1)CCCC2NC)N(C)c1ccccc1.CC
InChIInChI=1S/C20H24N2.C2H6/c1-15(22(3)18-9-5-4-6-10-18)16-12-13-19-17(14-16)8-7-11-20(19)21-2;1-2/h4-6,9-10,12-14,20-21H,1,7-8,11H2,2-3H3;1-2H3
InChIKeyBVDRTHZESGCCNO-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.42
Rot. Bonds4

About ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 157472089) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID157472089
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Nameethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(c1ccc2c(c1)CCCC2NC)N(C)c1ccccc1.CC
InChIInChI=1S/C20H24N2.C2H6/c1-15(22(3)18-9-5-4-6-10-18)16-12-13-19-17(14-16)8-7-11-20(19)21-2;1-2/h4-6,9-10,12-14,20-21H,1,7-8,11H2,2-3H3;1-2H3
InChIKeyBVDRTHZESGCCNO-UHFFFAOYSA-N
XLogP5.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 157472089) is ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is C=C(c1ccc2c(c1)CCCC2NC)N(C)c1ccccc1.CC.
What is the InChIKey of ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BVDRTHZESGCCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.C2H6/c1-15(22(3)18-9-5-4-6-10-18)16-12-13-19-17(14-16)8-7-11-20(19)21-2;1-2/h4-6,9-10,12-14,20-21H,1,7-8,11H2,2-3H3;1-2H3.
What are the key properties of ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 322.50 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 157472089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).