N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine

C16H25N3O — CID 115922180

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H25N3O/c1-11(2)20-16-15(5-4-8-17-16)18-13-9-12(3)19(10-13)14-6-7-14/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3
InChIKeyUUBVVYWEVOMIMX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.91
Rot. Bonds5

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 115922180) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
PubChem CID115922180
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H25N3O/c1-11(2)20-16-15(5-4-8-17-16)18-13-9-12(3)19(10-13)14-6-7-14/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3
InChIKeyUUBVVYWEVOMIMX-UHFFFAOYSA-N
XLogP2.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine (CID 115922180) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NC1CC(C)N(C2CC2)C1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is UUBVVYWEVOMIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)20-16-15(5-4-8-17-16)18-13-9-12(3)19(10-13)14-6-7-14/h4-5,8,11-14,18H,6-7,9-10H2,1-3H3.
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 275.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 115922180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).