N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C20H28N4O — CID 146138623

IUPACN-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CN(Cc1n[nH]c2c1COCC2)C1CCCc2cccnc21
InChIInChI=1S/C20H28N4O/c1-14(2)11-24(12-18-16-13-25-10-8-17(16)22-23-18)19-7-3-5-15-6-4-9-21-20(15)19/h4,6,9,14,19H,3,5,7-8,10-13H2,1-2H3,(H,22,23)
InChIKeyBKYGLUVPYDJERN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds5

About N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 146138623) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID146138623
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CN(Cc1n[nH]c2c1COCC2)C1CCCc2cccnc21
InChIInChI=1S/C20H28N4O/c1-14(2)11-24(12-18-16-13-25-10-8-17(16)22-23-18)19-7-3-5-15-6-4-9-21-20(15)19/h4,6,9,14,19H,3,5,7-8,10-13H2,1-2H3,(H,22,23)
InChIKeyBKYGLUVPYDJERN-UHFFFAOYSA-N
XLogP3.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159311792
(8S)-N-methyl-N-[[3-[[methyl(2-methylpropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 24829991
N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine
CID 58997151
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
CID 68960977
N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 58997023
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176444
N-[[3-(aminomethyl)pyrazin-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53324533

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 146138623) is N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)CN(Cc1n[nH]c2c1COCC2)C1CCCc2cccnc21.
What is the InChIKey of N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BKYGLUVPYDJERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)11-24(12-18-16-13-25-10-8-17(16)22-23-18)19-7-3-5-15-6-4-9-21-20(15)19/h4,6,9,14,19H,3,5,7-8,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 340.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 146138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).