3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine

C13H28N2O — CID 115707779

IUPAC3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-12(13(2)16-3)14-8-7-11-15-9-5-4-6-10-15/h12-14H,4-11H2,1-3H3
InChIKeyNXRFOZHTJZBVFP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine

3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine (PubChem CID 115707779) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
PubChem CID115707779
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-12(13(2)16-3)14-8-7-11-15-9-5-4-6-10-15/h12-14H,4-11H2,1-3H3
InChIKeyNXRFOZHTJZBVFP-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
CID 115919081
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43508773
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine (CID 115707779) is 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine is COC(C)C(C)NCCCN1CCCCC1.
What is the InChIKey of 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine?
The InChIKey is NXRFOZHTJZBVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(13(2)16-3)14-8-7-11-15-9-5-4-6-10-15/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine?
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine is sourced from PubChem (CID 115707779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).