N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine

C15H17N3 — CID 114694580

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
SMILESC1=C(CNc2ccc3ccccc3n2)CCNC1
InChIInChI=1S/C15H17N3/c1-2-4-14-13(3-1)5-6-15(18-14)17-11-12-7-9-16-10-8-12/h1-7,16H,8-11H2,(H,17,18)
InChIKeyCEQGXDVLHHMNKP-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.57
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine (PubChem CID 114694580) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
PubChem CID114694580
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
SMILESC1=C(CNc2ccc3ccccc3n2)CCNC1
InChIInChI=1S/C15H17N3/c1-2-4-14-13(3-1)5-6-15(18-14)17-11-12-7-9-16-10-8-12/h1-7,16H,8-11H2,(H,17,18)
InChIKeyCEQGXDVLHHMNKP-UHFFFAOYSA-N
XLogP2.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine (CID 114694580) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine is C1=C(CNc2ccc3ccccc3n2)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine?
The InChIKey is CEQGXDVLHHMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-14-13(3-1)5-6-15(18-14)17-11-12-7-9-16-10-8-12/h1-7,16H,8-11H2,(H,17,18).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 114694580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).