N-(oxolan-2-ylmethyl)pyridin-4-amine

C10H14N2O — CID 43099472

IUPACN-(oxolan-2-ylmethyl)pyridin-4-amine
SMILESc1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12)
InChIKeyCRFFHQRTZREWOJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.67
Rot. Bonds3

About N-(oxolan-2-ylmethyl)pyridin-4-amine

N-(oxolan-2-ylmethyl)pyridin-4-amine (PubChem CID 43099472) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)pyridin-4-amine
PubChem CID43099472
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(oxolan-2-ylmethyl)pyridin-4-amine
SMILESc1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12)
InChIKeyCRFFHQRTZREWOJ-UHFFFAOYSA-N
XLogP1.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)pyridin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)pyridin-4-amine (CID 43099472) is N-(oxolan-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)pyridin-4-amine is c1cc(NCC2CCCO2)ccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)pyridin-4-amine?
The InChIKey is CRFFHQRTZREWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12).
What are the key properties of N-(oxolan-2-ylmethyl)pyridin-4-amine?
N-(oxolan-2-ylmethyl)pyridin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 43099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).