5-[3-(2-methylpropylamino)butyl]pyridin-2-amine

C13H23N3 — CID 69324274

IUPAC5-[3-(2-methylpropylamino)butyl]pyridin-2-amine
SMILESCC(C)CNC(C)CCc1ccc(N)nc1
InChIInChI=1S/C13H23N3/c1-10(2)8-15-11(3)4-5-12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeySXCRBALNSWRVRL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds6

About 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine

5-[3-(2-methylpropylamino)butyl]pyridin-2-amine (PubChem CID 69324274) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylpropylamino)butyl]pyridin-2-amine
PubChem CID69324274
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-[3-(2-methylpropylamino)butyl]pyridin-2-amine
SMILESCC(C)CNC(C)CCc1ccc(N)nc1
InChIInChI=1S/C13H23N3/c1-10(2)8-15-11(3)4-5-12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeySXCRBALNSWRVRL-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine (CID 69324274) is 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine is CC(C)CNC(C)CCc1ccc(N)nc1.
What is the InChIKey of 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine?
The InChIKey is SXCRBALNSWRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)8-15-11(3)4-5-12-6-7-13(14)16-9-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H2,14,16).
What are the key properties of 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine?
5-[3-(2-methylpropylamino)butyl]pyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 69324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).