1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol

C20H31NO — CID 69003692

IUPAC1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol
SMILESCCCCc1ccc2c(c1)CN(C)CC2C1(O)CCCCC1
InChIInChI=1S/C20H31NO/c1-3-4-8-16-9-10-18-17(13-16)14-21(2)15-19(18)20(22)11-6-5-7-12-20/h9-10,13,19,22H,3-8,11-12,14-15H2,1-2H3
InChIKeyUJLCMTONFNKFHM-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.25
Rot. Bonds4

About 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol

1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol (PubChem CID 69003692) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol
PubChem CID69003692
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol
SMILESCCCCc1ccc2c(c1)CN(C)CC2C1(O)CCCCC1
InChIInChI=1S/C20H31NO/c1-3-4-8-16-9-10-18-17(13-16)14-21(2)15-19(18)20(22)11-6-5-7-12-20/h9-10,13,19,22H,3-8,11-12,14-15H2,1-2H3
InChIKeyUJLCMTONFNKFHM-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol (CID 69003692) is 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol is CCCCc1ccc2c(c1)CN(C)CC2C1(O)CCCCC1.
What is the InChIKey of 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol?
The InChIKey is UJLCMTONFNKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-3-4-8-16-9-10-18-17(13-16)14-21(2)15-19(18)20(22)11-6-5-7-12-20/h9-10,13,19,22H,3-8,11-12,14-15H2,1-2H3.
What are the key properties of 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol?
1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol has a molecular weight of 301.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 69003692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).