1,2,3,4,6,7-hexahydroisoquinoline;methane

C10H17N — CID 142274324

IUPAC1,2,3,4,6,7-hexahydroisoquinoline;methane
SMILESC.C1=C2CCNCC2=CCC1
InChIInChI=1S/C9H13N.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;/h3-4,10H,1-2,5-7H2;1H4
InChIKeyRXMHLIPBLCTMKI-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds

About 1,2,3,4,6,7-hexahydroisoquinoline;methane

1,2,3,4,6,7-hexahydroisoquinoline;methane (PubChem CID 142274324) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydroisoquinoline;methane.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydroisoquinoline;methane
PubChem CID142274324
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,2,3,4,6,7-hexahydroisoquinoline;methane
SMILESC.C1=C2CCNCC2=CCC1
InChIInChI=1S/C9H13N.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;/h3-4,10H,1-2,5-7H2;1H4
InChIKeyRXMHLIPBLCTMKI-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
Hexahydroisoquinoline
CID 54394851
Hexahydrobenzo[f]quinoline
CID 88521331
(3E)-3-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienylidene]piperidine
CID 144473733
N-[(3-fluorocyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 144504530
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 144700957
6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
CID 166951480
N-[(2,5-difluoro-3-methylcyclohexa-1,3-dien-1-yl)methyl]propan-1-amine
CID 171815817
4,4-Dimethyltetrahydro-4-silaisoquinoline
CID 129792664
1,4-Ethano-2,3-dihydroisoquinoline
CID 129801398
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142892616

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydroisoquinoline;methane?
The IUPAC name of 1,2,3,4,6,7-hexahydroisoquinoline;methane (CID 142274324) is 1,2,3,4,6,7-hexahydroisoquinoline;methane.
What is the SMILES notation for 1,2,3,4,6,7-hexahydroisoquinoline;methane?
The canonical SMILES for 1,2,3,4,6,7-hexahydroisoquinoline;methane is C.C1=C2CCNCC2=CCC1.
What is the InChIKey of 1,2,3,4,6,7-hexahydroisoquinoline;methane?
The InChIKey is RXMHLIPBLCTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;/h3-4,10H,1-2,5-7H2;1H4.
What are the key properties of 1,2,3,4,6,7-hexahydroisoquinoline;methane?
1,2,3,4,6,7-hexahydroisoquinoline;methane has a molecular weight of 151.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7-hexahydroisoquinoline;methane is sourced from PubChem (CID 142274324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).