propan-1-amine;pyridin-4-ylmethanamine

C9H17N3 — CID 157420775

IUPACpropan-1-amine;pyridin-4-ylmethanamine
SMILESCCCN.NCc1ccncc1
InChIInChI=1S/C6H8N2.C3H9N/c7-5-6-1-3-8-4-2-6;1-2-3-4/h1-4H,5,7H2;2-4H2,1H3
InChIKeyBPJKHJKNFKGAFJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.90
Rot. Bonds2

About propan-1-amine;pyridin-4-ylmethanamine

propan-1-amine;pyridin-4-ylmethanamine (PubChem CID 157420775) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is propan-1-amine;pyridin-4-ylmethanamine.

Molecular Properties

Compound Namepropan-1-amine;pyridin-4-ylmethanamine
PubChem CID157420775
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Namepropan-1-amine;pyridin-4-ylmethanamine
SMILESCCCN.NCc1ccncc1
InChIInChI=1S/C6H8N2.C3H9N/c7-5-6-1-3-8-4-2-6;1-2-3-4/h1-4H,5,7H2;2-4H2,1H3
InChIKeyBPJKHJKNFKGAFJ-UHFFFAOYSA-N
XLogP0.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;pyridin-4-ylmethanamine?
The IUPAC name of propan-1-amine;pyridin-4-ylmethanamine (CID 157420775) is propan-1-amine;pyridin-4-ylmethanamine.
What is the SMILES notation for propan-1-amine;pyridin-4-ylmethanamine?
The canonical SMILES for propan-1-amine;pyridin-4-ylmethanamine is CCCN.NCc1ccncc1.
What is the InChIKey of propan-1-amine;pyridin-4-ylmethanamine?
The InChIKey is BPJKHJKNFKGAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C3H9N/c7-5-6-1-3-8-4-2-6;1-2-3-4/h1-4H,5,7H2;2-4H2,1H3.
What are the key properties of propan-1-amine;pyridin-4-ylmethanamine?
propan-1-amine;pyridin-4-ylmethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;pyridin-4-ylmethanamine is sourced from PubChem (CID 157420775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).