3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane

C19H31N — CID 143718969

IUPAC3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
SMILESCC.Cc1ccc2c(c1)CCN(C1CCCC1)CCC2
InChIInChI=1S/C17H25N.C2H6/c1-14-8-9-15-5-4-11-18(12-10-16(15)13-14)17-6-2-3-7-17;1-2/h8-9,13,17H,2-7,10-12H2,1H3;1-2H3
InChIKeyRFYNFNQXBNVMLT-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.75
Rot. Bonds1

About 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane

3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane (PubChem CID 143718969) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane.

Molecular Properties

Compound Name3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
PubChem CID143718969
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
SMILESCC.Cc1ccc2c(c1)CCN(C1CCCC1)CCC2
InChIInChI=1S/C17H25N.C2H6/c1-14-8-9-15-5-4-11-18(12-10-16(15)13-14)17-6-2-3-7-17;1-2/h8-9,13,17H,2-7,10-12H2,1H3;1-2H3
InChIKeyRFYNFNQXBNVMLT-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
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CID 138553639
6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
CID 166872891
(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
CID 90191116
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 129213634
1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
CID 84626441
1-cyclopentyl-4-(2,4-dimethylphenyl)piperidine
CID 145201181
3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 159831284
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine;ethane
CID 143719023

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane?
The IUPAC name of 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane (CID 143718969) is 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane.
What is the SMILES notation for 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane?
The canonical SMILES for 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane is CC.Cc1ccc2c(c1)CCN(C1CCCC1)CCC2.
What is the InChIKey of 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane?
The InChIKey is RFYNFNQXBNVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C2H6/c1-14-8-9-15-5-4-11-18(12-10-16(15)13-14)17-6-2-3-7-17;1-2/h8-9,13,17H,2-7,10-12H2,1H3;1-2H3.
What are the key properties of 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane?
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane has a molecular weight of 273.46 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane is sourced from PubChem (CID 143718969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).