4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine

C14H24N4 — CID 44547268

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyUAOJUVSUWLARMX-GFCCVEGCSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds5

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 44547268) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
PubChem CID44547268
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyUAOJUVSUWLARMX-GFCCVEGCSA-N
XLogP1.95
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine (CID 44547268) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine is CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is UAOJUVSUWLARMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 44547268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).