2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine

C14H29N3 — CID 116907385

IUPAC2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)C(C1CCC1)C1CCN(CCN)CC1
InChIInChI=1S/C14H29N3/c1-16(2)14(12-4-3-5-12)13-6-9-17(10-7-13)11-8-15/h12-14H,3-11,15H2,1-2H3
InChIKeyCNEXVXFHRFVEKN-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine

2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine (PubChem CID 116907385) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
PubChem CID116907385
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)C(C1CCC1)C1CCN(CCN)CC1
InChIInChI=1S/C14H29N3/c1-16(2)14(12-4-3-5-12)13-6-9-17(10-7-13)11-8-15/h12-14H,3-11,15H2,1-2H3
InChIKeyCNEXVXFHRFVEKN-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
CID 116952547
2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907376
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
CID 116952550
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
CID 116952523
2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 165486393
2-[4-[dimethylamino(pyridin-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907378
N'-methyl-N'-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65077334
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 115214466
N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 117027507

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine (CID 116907385) is 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine is CN(C)C(C1CCC1)C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The InChIKey is CNEXVXFHRFVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)14(12-4-3-5-12)13-6-9-17(10-7-13)11-8-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine?
2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116907385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).