4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline

C14H20N2 — CID 141303290

IUPAC4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
SMILESCCCN1CCC=C(c2ccc(N)cc2)C1
InChIInChI=1S/C14H20N2/c1-2-9-16-10-3-4-13(11-16)12-5-7-14(15)8-6-12/h4-8H,2-3,9-11,15H2,1H3
InChIKeyIYGXIBACWPNBFE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.77
Rot. Bonds3

About 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline

4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline (PubChem CID 141303290) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline.

Molecular Properties

Compound Name4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
PubChem CID141303290
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
SMILESCCCN1CCC=C(c2ccc(N)cc2)C1
InChIInChI=1S/C14H20N2/c1-2-9-16-10-3-4-13(11-16)12-5-7-14(15)8-6-12/h4-8H,2-3,9-11,15H2,1H3
InChIKeyIYGXIBACWPNBFE-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline?
The IUPAC name of 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline (CID 141303290) is 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline.
What is the SMILES notation for 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline?
The canonical SMILES for 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline is CCCN1CCC=C(c2ccc(N)cc2)C1.
What is the InChIKey of 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline?
The InChIKey is IYGXIBACWPNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-9-16-10-3-4-13(11-16)12-5-7-14(15)8-6-12/h4-8H,2-3,9-11,15H2,1H3.
What are the key properties of 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline?
4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline has a molecular weight of 216.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline is sourced from PubChem (CID 141303290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).