3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one

C17H26N2O2 — CID 170110015

IUPAC3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one
SMILESCCCCOCC1(Cn2cc(C3CC3)cc(N)c2=O)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-8-21-12-17(6-7-17)11-19-10-14(13-4-5-13)9-15(18)16(19)20/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeyQCRHOPVDLCBSQZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.90
Rot. Bonds8

About 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one

3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one (PubChem CID 170110015) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one
PubChem CID170110015
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one
SMILESCCCCOCC1(Cn2cc(C3CC3)cc(N)c2=O)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-8-21-12-17(6-7-17)11-19-10-14(13-4-5-13)9-15(18)16(19)20/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeyQCRHOPVDLCBSQZ-UHFFFAOYSA-N
XLogP2.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one?
The IUPAC name of 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one (CID 170110015) is 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one?
The canonical SMILES for 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one is CCCCOCC1(Cn2cc(C3CC3)cc(N)c2=O)CC1.
What is the InChIKey of 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one?
The InChIKey is QCRHOPVDLCBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-8-21-12-17(6-7-17)11-19-10-14(13-4-5-13)9-15(18)16(19)20/h9-10,13H,2-8,11-12,18H2,1H3.
What are the key properties of 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one?
3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[1-(butoxymethyl)cyclopropyl]methyl]-5-cyclopropylpyridin-2-one is sourced from PubChem (CID 170110015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).