N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine

C10H16N2O — CID 173058068

IUPACN,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
SMILESCCC(Oc1cccnc1)N(C)C
InChIInChI=1S/C10H16N2O/c1-4-10(12(2)3)13-9-6-5-7-11-8-9/h5-8,10H,4H2,1-3H3
InChIKeyPWOFFDMYUGRZDA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.76
Rot. Bonds4

About N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine

N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine (PubChem CID 173058068) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
PubChem CID173058068
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
SMILESCCC(Oc1cccnc1)N(C)C
InChIInChI=1S/C10H16N2O/c1-4-10(12(2)3)13-9-6-5-7-11-8-9/h5-8,10H,4H2,1-3H3
InChIKeyPWOFFDMYUGRZDA-UHFFFAOYSA-N
XLogP1.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine?
The IUPAC name of N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine (CID 173058068) is N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine is CCC(Oc1cccnc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine?
The InChIKey is PWOFFDMYUGRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-10(12(2)3)13-9-6-5-7-11-8-9/h5-8,10H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine?
N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine is sourced from PubChem (CID 173058068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).