1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine

C12H27N3 — CID 116952523

IUPAC1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)C1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-4-12(14-2)11-5-8-15(9-6-11)10-7-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeyMRWVGFPZKGUNMZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.05
Rot. Bonds6

About 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine

1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine (PubChem CID 116952523) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
PubChem CID116952523
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)C1CCN(CCN)CC1
InChIInChI=1S/C12H27N3/c1-3-4-12(14-2)11-5-8-15(9-6-11)10-7-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeyMRWVGFPZKGUNMZ-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
CID 116952547
2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
CID 116952550
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
CID 116926581
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 116907385
N-methyl-1-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 116831672
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
1-cyclopentyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746172
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine (CID 116952523) is 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine is CCCC(NC)C1CCN(CCN)CC1.
What is the InChIKey of 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine?
The InChIKey is MRWVGFPZKGUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-4-12(14-2)11-5-8-15(9-6-11)10-7-13/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine?
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 116952523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).