N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine

C12H25N3 — CID 66567916

IUPACN-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(CC1CCCN(CCN)C1)C1CC1
InChIInChI=1S/C12H25N3/c1-14(12-4-5-12)9-11-3-2-7-15(10-11)8-6-13/h11-12H,2-10,13H2,1H3
InChIKeyRUIVITAIUKRVQM-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds5

About N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine

N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine (PubChem CID 66567916) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
PubChem CID66567916
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(CC1CCCN(CCN)C1)C1CC1
InChIInChI=1S/C12H25N3/c1-14(12-4-5-12)9-11-3-2-7-15(10-11)8-6-13/h11-12H,2-10,13H2,1H3
InChIKeyRUIVITAIUKRVQM-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
1-(2-aminoethyl)-N-cyclopropyl-N-methylpiperidin-3-amine
CID 66567911
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
2-[3-[[1,4-dithiepan-6-yl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 50963111
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine (CID 66567916) is N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine is CN(CC1CCCN(CCN)C1)C1CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is RUIVITAIUKRVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14(12-4-5-12)9-11-3-2-7-15(10-11)8-6-13/h11-12H,2-10,13H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine?
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 66567916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).