N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide

C12H16N2O — CID 165447452

IUPACN-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCc2cccnc21
InChIInChI=1S/C12H16N2O/c1-2-11(15)14-10-7-3-5-9-6-4-8-13-12(9)10/h4,6,8,10H,2-3,5,7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyDXCMUSXWAZHXLO-SNVBAGLBSA-N
MW204.27 g/mol
LogP1.99
Rot. Bonds2

About N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide

N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide (PubChem CID 165447452) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
PubChem CID165447452
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCCc2cccnc21
InChIInChI=1S/C12H16N2O/c1-2-11(15)14-10-7-3-5-9-6-4-8-13-12(9)10/h4,6,8,10H,2-3,5,7H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyDXCMUSXWAZHXLO-SNVBAGLBSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butanamide
CID 170583156
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
CID 112672973
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N-propan-2-ylpropanamide
CID 102774214
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The IUPAC name of N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide (CID 165447452) is N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide.
What is the SMILES notation for N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The canonical SMILES for N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide is CCC(=O)N[C@@H]1CCCc2cccnc21.
What is the InChIKey of N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
The InChIKey is DXCMUSXWAZHXLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-11(15)14-10-7-3-5-9-6-4-8-13-12(9)10/h4,6,8,10H,2-3,5,7H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide?
N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide has a molecular weight of 204.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide is sourced from PubChem (CID 165447452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).