N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine

C17H26N2O2 — CID 79079663

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCCCOCC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-5-14-6-2-9-19-17(14)16(8-1)18-10-4-11-20-13-15-7-3-12-21-15/h2,6,9,15-16,18H,1,3-5,7-8,10-13H2
InChIKeyJBISATOSMKMHKU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds7

About N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 79079663) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID79079663
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCCCOCC1CCCO1
InChIInChI=1S/C17H26N2O2/c1-5-14-6-2-9-19-17(14)16(8-1)18-10-4-11-20-13-15-7-3-12-21-15/h2,6,9,15-16,18H,1,3-5,7-8,10-13H2
InChIKeyJBISATOSMKMHKU-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 141138632
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
CID 97215805

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 79079663) is N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2NCCCOCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JBISATOSMKMHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-14-6-2-9-19-17(14)16(8-1)18-10-4-11-20-13-15-7-3-12-21-15/h2,6,9,15-16,18H,1,3-5,7-8,10-13H2.
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 290.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 79079663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).