N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine

C15H30N2O — CID 79414132

IUPACN-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCCOC1CCCN(C(C)C(C)CNC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-4-18-15-6-5-9-17(11-15)13(3)12(2)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyQDNJPULJGGXOFI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds7

About N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine

N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 79414132) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
PubChem CID79414132
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCCOC1CCCN(C(C)C(C)CNC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-4-18-15-6-5-9-17(11-15)13(3)12(2)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3
InChIKeyQDNJPULJGGXOFI-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
CID 79409708
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 79414354
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501687
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine (CID 79414132) is N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine is CCOC1CCCN(C(C)C(C)CNC2CC2)C1.
What is the InChIKey of N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is QDNJPULJGGXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-18-15-6-5-9-17(11-15)13(3)12(2)10-16-14-7-8-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine?
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79414132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).