1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine

C13H21N3 — CID 81467260

IUPAC1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
SMILESCC1CC(N[C@H](C)c2ccncc2)CN1C
InChIInChI=1S/C13H21N3/c1-10-8-13(9-16(10)3)15-11(2)12-4-6-14-7-5-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t10?,11-,13?/m1/s1
InChIKeyROHZSOYQKKPLHF-QWKFWESOSA-N
MW219.33 g/mol
LogP1.82
Rot. Bonds3

About 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine (PubChem CID 81467260) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
PubChem CID81467260
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
SMILESCC1CC(N[C@H](C)c2ccncc2)CN1C
InChIInChI=1S/C13H21N3/c1-10-8-13(9-16(10)3)15-11(2)12-4-6-14-7-5-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t10?,11-,13?/m1/s1
InChIKeyROHZSOYQKKPLHF-QWKFWESOSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301717
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 81333927
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine (CID 81467260) is 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine is CC1CC(N[C@H](C)c2ccncc2)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine?
The InChIKey is ROHZSOYQKKPLHF-QWKFWESOSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-8-13(9-16(10)3)15-11(2)12-4-6-14-7-5-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t10?,11-,13?/m1/s1.
What are the key properties of 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81467260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).