1-pentyl-2H-pyridine-2,6-diamine

C10H19N3 — CID 67821358

IUPAC1-pentyl-2H-pyridine-2,6-diamine
SMILESCCCCCN1C(N)=CC=CC1N
InChIInChI=1S/C10H19N3/c1-2-3-4-8-13-9(11)6-5-7-10(13)12/h5-7,9H,2-4,8,11-12H2,1H3
InChIKeyBMDQNMCVYYSMQA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.13
Rot. Bonds4

About 1-pentyl-2H-pyridine-2,6-diamine

1-pentyl-2H-pyridine-2,6-diamine (PubChem CID 67821358) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-pentyl-2H-pyridine-2,6-diamine.

Molecular Properties

Compound Name1-pentyl-2H-pyridine-2,6-diamine
PubChem CID67821358
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-pentyl-2H-pyridine-2,6-diamine
SMILESCCCCCN1C(N)=CC=CC1N
InChIInChI=1S/C10H19N3/c1-2-3-4-8-13-9(11)6-5-7-10(13)12/h5-7,9H,2-4,8,11-12H2,1H3
InChIKeyBMDQNMCVYYSMQA-UHFFFAOYSA-N
XLogP1.13
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2H-pyridine-2,6-diamine?
The IUPAC name of 1-pentyl-2H-pyridine-2,6-diamine (CID 67821358) is 1-pentyl-2H-pyridine-2,6-diamine.
What is the SMILES notation for 1-pentyl-2H-pyridine-2,6-diamine?
The canonical SMILES for 1-pentyl-2H-pyridine-2,6-diamine is CCCCCN1C(N)=CC=CC1N.
What is the InChIKey of 1-pentyl-2H-pyridine-2,6-diamine?
The InChIKey is BMDQNMCVYYSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-4-8-13-9(11)6-5-7-10(13)12/h5-7,9H,2-4,8,11-12H2,1H3.
What are the key properties of 1-pentyl-2H-pyridine-2,6-diamine?
1-pentyl-2H-pyridine-2,6-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2H-pyridine-2,6-diamine is sourced from PubChem (CID 67821358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).