N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane

C22H33N3O — CID 156652448

IUPACN-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane
SMILESCC.CN(C)Cc1nc(NCc2ccccc2)ccc1C1(C)CCOC1
InChIInChI=1S/C20H27N3O.C2H6/c1-20(11-12-24-15-20)17-9-10-19(22-18(17)14-23(2)3)21-13-16-7-5-4-6-8-16;1-2/h4-10H,11-15H2,1-3H3,(H,21,22);1-2H3
InChIKeyRAQXTWYWROUFOE-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.46
Rot. Bonds6

About N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane

N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane (PubChem CID 156652448) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane.

Molecular Properties

Compound NameN-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane
PubChem CID156652448
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC NameN-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane
SMILESCC.CN(C)Cc1nc(NCc2ccccc2)ccc1C1(C)CCOC1
InChIInChI=1S/C20H27N3O.C2H6/c1-20(11-12-24-15-20)17-9-10-19(22-18(17)14-23(2)3)21-13-16-7-5-4-6-8-16;1-2/h4-10H,11-15H2,1-3H3,(H,21,22);1-2H3
InChIKeyRAQXTWYWROUFOE-UHFFFAOYSA-N
XLogP4.46
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane?
The IUPAC name of N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane (CID 156652448) is N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane.
What is the SMILES notation for N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane?
The canonical SMILES for N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane is CC.CN(C)Cc1nc(NCc2ccccc2)ccc1C1(C)CCOC1.
What is the InChIKey of N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane?
The InChIKey is RAQXTWYWROUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.C2H6/c1-20(11-12-24-15-20)17-9-10-19(22-18(17)14-23(2)3)21-13-16-7-5-4-6-8-16;1-2/h4-10H,11-15H2,1-3H3,(H,21,22);1-2H3.
What are the key properties of N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane?
N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane has a molecular weight of 355.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(dimethylamino)methyl]-5-(3-methyloxolan-3-yl)pyridin-2-amine;ethane is sourced from PubChem (CID 156652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).