2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine

C14H23N3 — CID 104740262

IUPAC2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
SMILESCC(C)(C)C1CCN(Cc2ncccc2N)C1
InChIInChI=1S/C14H23N3/c1-14(2,3)11-6-8-17(9-11)10-13-12(15)5-4-7-16-13/h4-5,7,11H,6,8-10,15H2,1-3H3
InChIKeyCOBRDPWTMXVARU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds2

About 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine

2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine (PubChem CID 104740262) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
PubChem CID104740262
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
SMILESCC(C)(C)C1CCN(Cc2ncccc2N)C1
InChIInChI=1S/C14H23N3/c1-14(2,3)11-6-8-17(9-11)10-13-12(15)5-4-7-16-13/h4-5,7,11H,6,8-10,15H2,1-3H3
InChIKeyCOBRDPWTMXVARU-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine (CID 104740262) is 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine is CC(C)(C)C1CCN(Cc2ncccc2N)C1.
What is the InChIKey of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine?
The InChIKey is COBRDPWTMXVARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)11-6-8-17(9-11)10-13-12(15)5-4-7-16-13/h4-5,7,11H,6,8-10,15H2,1-3H3.
What are the key properties of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine?
2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104740262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).