3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine

C13H26N2 — CID 104859771

IUPAC3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
SMILESCC1CC(NCCC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2/c1-11-9-13(10-11)14-6-3-12-4-7-15(2)8-5-12/h11-14H,3-10H2,1-2H3
InChIKeySAYKWJBHLBPOPR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds4

About 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine

3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 104859771) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
PubChem CID104859771
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
SMILESCC1CC(NCCC2CCN(C)CC2)C1
InChIInChI=1S/C13H26N2/c1-11-9-13(10-11)14-6-3-12-4-7-15(2)8-5-12/h11-14H,3-10H2,1-2H3
InChIKeySAYKWJBHLBPOPR-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448828
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 114515525
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
CID 103991149
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine (CID 104859771) is 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine is CC1CC(NCCC2CCN(C)CC2)C1.
What is the InChIKey of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is SAYKWJBHLBPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-9-13(10-11)14-6-3-12-4-7-15(2)8-5-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine?
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104859771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).