N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine

C15H25N3O — CID 106321729

IUPACN-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2ncccc2OC(C)C)C1
InChIInChI=1S/C15H25N3O/c1-12(2)19-13-6-5-8-17-14(13)18-9-7-15(3,11-18)10-16-4/h5-6,8,12,16H,7,9-11H2,1-4H3
InChIKeyDWQVPPDAWCMARZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine (PubChem CID 106321729) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine
PubChem CID106321729
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC NameN-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2ncccc2OC(C)C)C1
InChIInChI=1S/C15H25N3O/c1-12(2)19-13-6-5-8-17-14(13)18-9-7-15(3,11-18)10-16-4/h5-6,8,12,16H,7,9-11H2,1-4H3
InChIKeyDWQVPPDAWCMARZ-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine (CID 106321729) is N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(c2ncccc2OC(C)C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The InChIKey is DWQVPPDAWCMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)19-13-6-5-8-17-14(13)18-9-7-15(3,11-18)10-16-4/h5-6,8,12,16H,7,9-11H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106321729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).