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

C15H17N3 — CID 114694669

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
SMILESC1=C(CNc2ccnc3ccccc23)CCNC1
InChIInChI=1S/C15H17N3/c1-2-4-14-13(3-1)15(7-10-17-14)18-11-12-5-8-16-9-6-12/h1-5,7,10,16H,6,8-9,11H2,(H,17,18)
InChIKeyHNSINLKABABCOG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.57
Rot. Bonds3

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

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine (PubChem CID 114694669) 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-4-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
PubChem CID114694669
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
SMILESC1=C(CNc2ccnc3ccccc23)CCNC1
InChIInChI=1S/C15H17N3/c1-2-4-14-13(3-1)15(7-10-17-14)18-11-12-5-8-16-9-6-12/h1-5,7,10,16H,6,8-9,11H2,(H,17,18)
InChIKeyHNSINLKABABCOG-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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Related Compounds

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694487
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-ethylquinolin-4-amine
CID 15306588
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
CID 114694580
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
CID 80548139
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
CID 107489358
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine (CID 114694669) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine is C1=C(CNc2ccnc3ccccc23)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
The InChIKey is HNSINLKABABCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-14-13(3-1)15(7-10-17-14)18-11-12-5-8-16-9-6-12/h1-5,7,10,16H,6,8-9,11H2,(H,17,18).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-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-4-amine is sourced from PubChem (CID 114694669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).