5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 81215404

IUPAC5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C18H28N2/c1-14(2)15-6-5-12-20(13-10-15)18-9-3-8-17-16(18)7-4-11-19-17/h3,8-9,14-15,19H,4-7,10-13H2,1-2H3
InChIKeyQKWALMXJKNRLIW-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.31
Rot. Bonds2

About 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215404) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215404
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C18H28N2/c1-14(2)15-6-5-12-20(13-10-15)18-9-3-8-17-16(18)7-4-11-19-17/h3,8-9,14-15,19H,4-7,10-13H2,1-2H3
InChIKeyQKWALMXJKNRLIW-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215390
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid
CID 174604963
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214682
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82749910
3,4-dimethyl-1-(1,2,3,4-tetrahydroquinolin-5-yl)pyrrolidine-2,5-dione
CID 103500228
2-bromo-6-(4-propan-2-ylazepan-1-yl)benzoic acid
CID 114888271
1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine
CID 170625177
tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
CID 170614792

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215404) is 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is CC(C)C1CCCN(c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QKWALMXJKNRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)15-6-5-12-20(13-10-15)18-9-3-8-17-16(18)7-4-11-19-17/h3,8-9,14-15,19H,4-7,10-13H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).