1-pentyl-2H-pyridin-4-amine

C10H18N2 — CID 67896761

IUPAC1-pentyl-2H-pyridin-4-amine
SMILESCCCCCN1C=CC(N)=CC1
InChIInChI=1S/C10H18N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8H,2-4,7,9,11H2,1H3
InChIKeyLTVKYNNVFUBUDZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.85
Rot. Bonds4

About 1-pentyl-2H-pyridin-4-amine

1-pentyl-2H-pyridin-4-amine (PubChem CID 67896761) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-pentyl-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-pentyl-2H-pyridin-4-amine
PubChem CID67896761
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-pentyl-2H-pyridin-4-amine
SMILESCCCCCN1C=CC(N)=CC1
InChIInChI=1S/C10H18N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8H,2-4,7,9,11H2,1H3
InChIKeyLTVKYNNVFUBUDZ-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pyridin-4-amine?
The IUPAC name of 1-pentyl-2H-pyridin-4-amine (CID 67896761) is 1-pentyl-2H-pyridin-4-amine.
What is the SMILES notation for 1-pentyl-2H-pyridin-4-amine?
The canonical SMILES for 1-pentyl-2H-pyridin-4-amine is CCCCCN1C=CC(N)=CC1.
What is the InChIKey of 1-pentyl-2H-pyridin-4-amine?
The InChIKey is LTVKYNNVFUBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-4-7-12-8-5-10(11)6-9-12/h5-6,8H,2-4,7,9,11H2,1H3.
What are the key properties of 1-pentyl-2H-pyridin-4-amine?
1-pentyl-2H-pyridin-4-amine has a molecular weight of 166.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2H-pyridin-4-amine is sourced from PubChem (CID 67896761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).