3-(2-propylazepan-2-yl)pyridin-2-amine

C14H23N3 — CID 79117624

IUPAC3-(2-propylazepan-2-yl)pyridin-2-amine
SMILESCCCC1(c2cccnc2N)CCCCCN1
InChIInChI=1S/C14H23N3/c1-2-8-14(9-4-3-5-11-17-14)12-7-6-10-16-13(12)15/h6-7,10,17H,2-5,8-9,11H2,1H3,(H2,15,16)
InChIKeyCJSRCAVLPKMZJI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.82
Rot. Bonds3

About 3-(2-propylazepan-2-yl)pyridin-2-amine

3-(2-propylazepan-2-yl)pyridin-2-amine (PubChem CID 79117624) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(2-propylazepan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-propylazepan-2-yl)pyridin-2-amine
PubChem CID79117624
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-(2-propylazepan-2-yl)pyridin-2-amine
SMILESCCCC1(c2cccnc2N)CCCCCN1
InChIInChI=1S/C14H23N3/c1-2-8-14(9-4-3-5-11-17-14)12-7-6-10-16-13(12)15/h6-7,10,17H,2-5,8-9,11H2,1H3,(H2,15,16)
InChIKeyCJSRCAVLPKMZJI-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylazepan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(2-propylazepan-2-yl)pyridin-2-amine (CID 79117624) is 3-(2-propylazepan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(2-propylazepan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(2-propylazepan-2-yl)pyridin-2-amine is CCCC1(c2cccnc2N)CCCCCN1.
What is the InChIKey of 3-(2-propylazepan-2-yl)pyridin-2-amine?
The InChIKey is CJSRCAVLPKMZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-8-14(9-4-3-5-11-17-14)12-7-6-10-16-13(12)15/h6-7,10,17H,2-5,8-9,11H2,1H3,(H2,15,16).
What are the key properties of 3-(2-propylazepan-2-yl)pyridin-2-amine?
3-(2-propylazepan-2-yl)pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylazepan-2-yl)pyridin-2-amine is sourced from PubChem (CID 79117624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).