(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine

C12H19N3 — CID 97181815

IUPAC(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
SMILESCC(C)[C@]1(N)CCN(c2ccncc2)C1
InChIInChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyCPORURNIKHIRQY-LBPRGKRZSA-N
MW205.31 g/mol
LogP1.65
Rot. Bonds2

About (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine

(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine (PubChem CID 97181815) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
PubChem CID97181815
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine
SMILESCC(C)[C@]1(N)CCN(c2ccncc2)C1
InChIInChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1
InChIKeyCPORURNIKHIRQY-LBPRGKRZSA-N
XLogP1.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
CID 68970925
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
3-(difluoromethyl)-1-(4-fluorophenyl)pyrrolidin-3-amine
CID 115037627
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
CID 59505317
3-tert-butyl-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 58101768
4-pyrrolidin-1-ylpyridine
CID 158456628
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 87478699
4-(difluoromethyl)-1-phenylpiperidin-4-amine
CID 106821028

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine (CID 97181815) is (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine is CC(C)[C@]1(N)CCN(c2ccncc2)C1.
What is the InChIKey of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
The InChIKey is CPORURNIKHIRQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)12(13)5-8-15(9-12)11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine?
(3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-amine is sourced from PubChem (CID 97181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).