N-pentyl-2,3-dihydropyridin-6-amine

C10H18N2 — CID 67716703

IUPACN-pentyl-2,3-dihydropyridin-6-amine
SMILESCCCCCNC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,11,12)
InChIKeyAUPFTYCXVLXHMO-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.12
Rot. Bonds4

About N-pentyl-2,3-dihydropyridin-6-amine

N-pentyl-2,3-dihydropyridin-6-amine (PubChem CID 67716703) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-pentyl-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-pentyl-2,3-dihydropyridin-6-amine
PubChem CID67716703
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-pentyl-2,3-dihydropyridin-6-amine
SMILESCCCCCNC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,11,12)
InChIKeyAUPFTYCXVLXHMO-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 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 ≤ 52.12
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 N-pentyl-2,3-dihydropyridin-6-amine?
The IUPAC name of N-pentyl-2,3-dihydropyridin-6-amine (CID 67716703) is N-pentyl-2,3-dihydropyridin-6-amine.
What is the SMILES notation for N-pentyl-2,3-dihydropyridin-6-amine?
The canonical SMILES for N-pentyl-2,3-dihydropyridin-6-amine is CCCCCNC1=NCCC=C1.
What is the InChIKey of N-pentyl-2,3-dihydropyridin-6-amine?
The InChIKey is AUPFTYCXVLXHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,11,12).
What are the key properties of N-pentyl-2,3-dihydropyridin-6-amine?
N-pentyl-2,3-dihydropyridin-6-amine has a molecular weight of 166.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 67716703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).