3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine

C11H25N3 — CID 83831660

IUPAC3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C(CN)CCN1C
InChIInChI=1S/C11H25N3/c1-13(2)7-4-5-11-10(9-12)6-8-14(11)3/h10-11H,4-9,12H2,1-3H3
InChIKeyFIPNIHSROXDZIG-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds5

About 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine

3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 83831660) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID83831660
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C(CN)CCN1C
InChIInChI=1S/C11H25N3/c1-13(2)7-4-5-11-10(9-12)6-8-14(11)3/h10-11H,4-9,12H2,1-3H3
InChIKeyFIPNIHSROXDZIG-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine
CID 96602279
[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 82612828
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine
CID 82598283
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
2-butyl-1-methylpyrrolidin-3-amine
CID 71433371
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
1-[(2-ethyl-1-methylpyrrolidin-3-yl)methyl]-1-methylhydrazine
CID 167500623
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
CID 96620784
2-[3-(dimethylamino)propyl]cycloheptan-1-amine
CID 82398042
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine (CID 83831660) is 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1C(CN)CCN1C.
What is the InChIKey of 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is FIPNIHSROXDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-13(2)7-4-5-11-10(9-12)6-8-14(11)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine?
3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 83831660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).