(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol

C14H25NO — CID 70186852

IUPAC(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
SMILESC=CCN1CC=C(CCCCC)C(CO)C1
InChIInChI=1S/C14H25NO/c1-3-5-6-7-13-8-10-15(9-4-2)11-14(13)12-16/h4,8,14,16H,2-3,5-7,9-12H2,1H3
InChIKeyKCEIZDBRKBVYPC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds7

About (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol

(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol (PubChem CID 70186852) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol.

Molecular Properties

Compound Name(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
PubChem CID70186852
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
SMILESC=CCN1CC=C(CCCCC)C(CO)C1
InChIInChI=1S/C14H25NO/c1-3-5-6-7-13-8-10-15(9-4-2)11-14(13)12-16/h4,8,14,16H,2-3,5-7,9-12H2,1H3
InChIKeyKCEIZDBRKBVYPC-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The IUPAC name of (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol (CID 70186852) is (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol.
What is the SMILES notation for (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The canonical SMILES for (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol is C=CCN1CC=C(CCCCC)C(CO)C1.
What is the InChIKey of (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
The InChIKey is KCEIZDBRKBVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-6-7-13-8-10-15(9-4-2)11-14(13)12-16/h4,8,14,16H,2-3,5-7,9-12H2,1H3.
What are the key properties of (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol?
(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol has a molecular weight of 223.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol is sourced from PubChem (CID 70186852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).