3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C15H25N3O — CID 106620786

IUPAC3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCOc1cccnc1N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H25N3O/c1-12(2)10-18(11-13-6-4-8-16-13)15-14(19-3)7-5-9-17-15/h5,7,9,12-13,16H,4,6,8,10-11H2,1-3H3
InChIKeyXUGZMCBWGVPEND-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds6

About 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620786) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620786
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCOc1cccnc1N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H25N3O/c1-12(2)10-18(11-13-6-4-8-16-13)15-14(19-3)7-5-9-17-15/h5,7,9,12-13,16H,4,6,8,10-11H2,1-3H3
InChIKeyXUGZMCBWGVPEND-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620786) is 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is COc1cccnc1N(CC(C)C)CC1CCCN1.
What is the InChIKey of 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is XUGZMCBWGVPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)10-18(11-13-6-4-8-16-13)15-14(19-3)7-5-9-17-15/h5,7,9,12-13,16H,4,6,8,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).