N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine

C12H27N3 — CID 96554802

IUPACN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-11(2)14(3)9-12-5-4-7-15(10-12)8-6-13/h11-12H,4-10,13H2,1-3H3/t12-/m0/s1
InChIKeyGJHOPLQEBCJVKA-LBPRGKRZSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine

N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 96554802) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID96554802
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-11(2)14(3)9-12-5-4-7-15(10-12)8-6-13/h11-12H,4-10,13H2,1-3H3/t12-/m0/s1
InChIKeyGJHOPLQEBCJVKA-LBPRGKRZSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
1-(2-aminoethyl)-N-cyclopropyl-N-methylpiperidin-3-amine
CID 66567911
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine (CID 96554802) is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)C[C@@H]1CCCN(CCN)C1.
What is the InChIKey of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is GJHOPLQEBCJVKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)14(3)9-12-5-4-7-15(10-12)8-6-13/h11-12H,4-10,13H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine?
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 96554802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).