3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine

C15H30N2O — CID 114119816

IUPAC3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCCCC1(CNC2CC(OCC)C2)CCCNC1
InChIInChI=1S/C15H30N2O/c1-3-6-15(7-5-8-16-11-15)12-17-13-9-14(10-13)18-4-2/h13-14,16-17H,3-12H2,1-2H3
InChIKeyQPKRJRKVPCLKEX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.31
Rot. Bonds7

About 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 114119816) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID114119816
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine
SMILESCCCC1(CNC2CC(OCC)C2)CCCNC1
InChIInChI=1S/C15H30N2O/c1-3-6-15(7-5-8-16-11-15)12-17-13-9-14(10-13)18-4-2/h13-14,16-17H,3-12H2,1-2H3
InChIKeyQPKRJRKVPCLKEX-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143322
N-[(3-propylpyrrolidin-3-yl)methyl]cycloheptanamine
CID 63143025
2-[1-[[(3-ethoxycyclobutyl)amino]methyl]cyclopropyl]ethanol
CID 114750744
1,1-dicyclopropyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63133124
2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 63142903
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
4,4,4-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 113327713
1-(furan-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63133032
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
CID 112554599
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
3-ethoxy-1-[(3-ethylpiperidin-3-yl)methyl]piperidine
CID 55167023

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine (CID 114119816) is 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine is CCCC1(CNC2CC(OCC)C2)CCCNC1.
What is the InChIKey of 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is QPKRJRKVPCLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-6-15(7-5-8-16-11-15)12-17-13-9-14(10-13)18-4-2/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-propylpiperidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 114119816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).