4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine

C14H30N2O — CID 113411499

IUPAC4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESCOCC(C)CCNCCCN1CCCCC1
InChIInChI=1S/C14H30N2O/c1-14(13-17-2)7-9-15-8-6-12-16-10-4-3-5-11-16/h14-15H,3-13H2,1-2H3
InChIKeyDGFYKTZHCNZUBT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine

4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine (PubChem CID 113411499) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
PubChem CID113411499
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESCOCC(C)CCNCCCN1CCCCC1
InChIInChI=1S/C14H30N2O/c1-14(13-17-2)7-9-15-8-6-12-16-10-4-3-5-11-16/h14-15H,3-13H2,1-2H3
InChIKeyDGFYKTZHCNZUBT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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

3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60697071
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
N-(2-methoxyethyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 55087286
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546
3-pentan-2-yloxy-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 170444194
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine (CID 113411499) is 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine is COCC(C)CCNCCCN1CCCCC1.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The InChIKey is DGFYKTZHCNZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(13-17-2)7-9-15-8-6-12-16-10-4-3-5-11-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine?
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 113411499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).