N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine

C13H26N2 — CID 171564907

IUPACN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine
SMILESCCN(CC1CCN(C)CC1)C1CCC1
InChIInChI=1S/C13H26N2/c1-3-15(13-5-4-6-13)11-12-7-9-14(2)10-8-12/h12-13H,3-11H2,1-2H3
InChIKeyWNWYOJHDQQGIHD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine

N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine (PubChem CID 171564907) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine
PubChem CID171564907
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine
SMILESCCN(CC1CCN(C)CC1)C1CCC1
InChIInChI=1S/C13H26N2/c1-3-15(13-5-4-6-13)11-12-7-9-14(2)10-8-12/h12-13H,3-11H2,1-2H3
InChIKeyWNWYOJHDQQGIHD-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine (CID 171564907) is N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine is CCN(CC1CCN(C)CC1)C1CCC1.
What is the InChIKey of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine?
The InChIKey is WNWYOJHDQQGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-15(13-5-4-6-13)11-12-7-9-14(2)10-8-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine?
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 171564907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).