(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

C18H27N3O — CID 97460511

IUPAC(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
SMILESCN(Cc1cccnc1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C18H27N3O/c1-20(11-15-4-2-8-19-10-15)17-13-21(12-14-6-7-14)16-5-3-9-22-18(16)17/h2,4,8,10,14,16-18H,3,5-7,9,11-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyXXUCYZCJAJOPSV-KURKYZTESA-N
MW301.43 g/mol
LogP2.16
Rot. Bonds5

About (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine (PubChem CID 97460511) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine.

Molecular Properties

Compound Name(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
PubChem CID97460511
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
SMILESCN(Cc1cccnc1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C18H27N3O/c1-20(11-15-4-2-8-19-10-15)17-13-21(12-14-6-7-14)16-5-3-9-22-18(16)17/h2,4,8,10,14,16-18H,3,5-7,9,11-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyXXUCYZCJAJOPSV-KURKYZTESA-N
XLogP2.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The IUPAC name of (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine (CID 97460511) is (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine.
What is the SMILES notation for (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The canonical SMILES for (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine is CN(Cc1cccnc1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12.
What is the InChIKey of (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The InChIKey is XXUCYZCJAJOPSV-KURKYZTESA-N. The full InChI is InChI=1S/C18H27N3O/c1-20(11-15-4-2-8-19-10-15)17-13-21(12-14-6-7-14)16-5-3-9-22-18(16)17/h2,4,8,10,14,16-18H,3,5-7,9,11-13H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine has a molecular weight of 301.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine is sourced from PubChem (CID 97460511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).