N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C15H20N4 — CID 80682877

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCn1cc(CCNC2CCCc3cccnc32)cn1
InChIInChI=1S/C15H20N4/c1-19-11-12(10-18-19)7-9-16-14-6-2-4-13-5-3-8-17-15(13)14/h3,5,8,10-11,14,16H,2,4,6-7,9H2,1H3
InChIKeyJTYGKXNXUCFNAH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 80682877) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID80682877
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCn1cc(CCNC2CCCc3cccnc32)cn1
InChIInChI=1S/C15H20N4/c1-19-11-12(10-18-19)7-9-16-14-6-2-4-13-5-3-8-17-15(13)14/h3,5,8,10-11,14,16H,2,4,6-7,9H2,1H3
InChIKeyJTYGKXNXUCFNAH-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-[2-(5-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91094837
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 80682877) is N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is Cn1cc(CCNC2CCCc3cccnc32)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JTYGKXNXUCFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-11-12(10-18-19)7-9-16-14-6-2-4-13-5-3-8-17-15(13)14/h3,5,8,10-11,14,16H,2,4,6-7,9H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 256.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 80682877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).