4-hexan-3-ylpyridin-2-amine

C11H18N2 — CID 139517317

IUPAC4-hexan-3-ylpyridin-2-amine
SMILESCCCC(CC)c1ccnc(N)c1
InChIInChI=1S/C11H18N2/c1-3-5-9(4-2)10-6-7-13-11(12)8-10/h6-9H,3-5H2,1-2H3,(H2,12,13)
InChIKeyHSFZDJIWOHNWJV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.96
Rot. Bonds4

About 4-hexan-3-ylpyridin-2-amine

4-hexan-3-ylpyridin-2-amine (PubChem CID 139517317) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-hexan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name4-hexan-3-ylpyridin-2-amine
PubChem CID139517317
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-hexan-3-ylpyridin-2-amine
SMILESCCCC(CC)c1ccnc(N)c1
InChIInChI=1S/C11H18N2/c1-3-5-9(4-2)10-6-7-13-11(12)8-10/h6-9H,3-5H2,1-2H3,(H2,12,13)
InChIKeyHSFZDJIWOHNWJV-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-ylpyridin-2-amine?
The IUPAC name of 4-hexan-3-ylpyridin-2-amine (CID 139517317) is 4-hexan-3-ylpyridin-2-amine.
What is the SMILES notation for 4-hexan-3-ylpyridin-2-amine?
The canonical SMILES for 4-hexan-3-ylpyridin-2-amine is CCCC(CC)c1ccnc(N)c1.
What is the InChIKey of 4-hexan-3-ylpyridin-2-amine?
The InChIKey is HSFZDJIWOHNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-5-9(4-2)10-6-7-13-11(12)8-10/h6-9H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 4-hexan-3-ylpyridin-2-amine?
4-hexan-3-ylpyridin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-ylpyridin-2-amine is sourced from PubChem (CID 139517317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).