4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine

C12H19N3O — CID 65328852

IUPAC4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CCCO1
InChIInChI=1S/C12H19N3O/c1-14-10(11-3-2-6-16-11)7-9-4-5-15-12(13)8-9/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyDHWFEIHUUAOJQA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.97
Rot. Bonds4

About 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine

4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 65328852) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID65328852
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CCCO1
InChIInChI=1S/C12H19N3O/c1-14-10(11-3-2-6-16-11)7-9-4-5-15-12(13)8-9/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H2,13,15)
InChIKeyDHWFEIHUUAOJQA-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 65328852) is 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)C1CCCO1.
What is the InChIKey of 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is DHWFEIHUUAOJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-10(11-3-2-6-16-11)7-9-4-5-15-12(13)8-9/h4-5,8,10-11,14H,2-3,6-7H2,1H3,(H2,13,15).
What are the key properties of 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine?
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 65328852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).