2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]

C23H36N2 — CID 138748969

IUPAC2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESC=CCCC(CCC)CN1CCC2(CC1)c1ccccc1CCN2C
InChIInChI=1S/C23H36N2/c1-4-6-10-20(9-5-2)19-25-17-14-23(15-18-25)22-12-8-7-11-21(22)13-16-24(23)3/h4,7-8,11-12,20H,1,5-6,9-10,13-19H2,2-3H3
InChIKeyDNAWWYPIJYUURK-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.85
Rot. Bonds7

About 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]

2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] (PubChem CID 138748969) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine].

Molecular Properties

Compound Name2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
PubChem CID138748969
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESC=CCCC(CCC)CN1CCC2(CC1)c1ccccc1CCN2C
InChIInChI=1S/C23H36N2/c1-4-6-10-20(9-5-2)19-25-17-14-23(15-18-25)22-12-8-7-11-21(22)13-16-24(23)3/h4,7-8,11-12,20H,1,5-6,9-10,13-19H2,2-3H3
InChIKeyDNAWWYPIJYUURK-UHFFFAOYSA-N
XLogP4.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802
1-methyl-4-[(Z)-2-propylnon-5-enyl]piperazine
CID 174290244
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
CID 65232676
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpentan-2-amine
CID 62043567
7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
CID 171656992
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
N-methyl-3-[2-[2-(2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 139527680
1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
CID 121359718
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]hex-5-en-2-ol
CID 10199558
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The IUPAC name of 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] (CID 138748969) is 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine].
What is the SMILES notation for 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The canonical SMILES for 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] is C=CCCC(CCC)CN1CCC2(CC1)c1ccccc1CCN2C.
What is the InChIKey of 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The InChIKey is DNAWWYPIJYUURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-4-6-10-20(9-5-2)19-25-17-14-23(15-18-25)22-12-8-7-11-21(22)13-16-24(23)3/h4,7-8,11-12,20H,1,5-6,9-10,13-19H2,2-3H3.
What are the key properties of 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] has a molecular weight of 340.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] is sourced from PubChem (CID 138748969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).