molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline

C12H21NO — CID 176923381

IUPACmolecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
SMILESCC(C)OC1=CCCC2=C1CCNC2.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12;/h5,9,13H,3-4,6-8H2,1-2H3;1H
InChIKeyALYDXYNQOMGXHF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds2

About molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline

molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline (PubChem CID 176923381) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline.

Molecular Properties

Compound Namemolecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
PubChem CID176923381
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namemolecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
SMILESCC(C)OC1=CCCC2=C1CCNC2.[H][H]
InChIInChI=1S/C12H19NO.H2/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12;/h5,9,13H,3-4,6-8H2,1-2H3;1H
InChIKeyALYDXYNQOMGXHF-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123729020
3-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]oxypiperidine
CID 141863490
4-[(6-Methylcyclohexa-1,5-dien-1-yl)methoxy]piperidine
CID 142283411
4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
CID 142944388
8-ethyl-7-methyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]pyridine
CID 143014048
4-[1-[(Z)-but-2-en-2-yl]oxyethenyl]-1,2,3,6-tetrahydropyridine
CID 145588931
3-(4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 153747953
3-(2-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 153748073
4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine
CID 163649205
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 172746965

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The IUPAC name of molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline (CID 176923381) is molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline.
What is the SMILES notation for molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The canonical SMILES for molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline is CC(C)OC1=CCCC2=C1CCNC2.[H][H].
What is the InChIKey of molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The InChIKey is ALYDXYNQOMGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H2/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12;/h5,9,13H,3-4,6-8H2,1-2H3;1H.
What are the key properties of molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline has a molecular weight of 195.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline is sourced from PubChem (CID 176923381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).