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

C10H17N — CID 144640443

IUPAC1,2,3,4,6,7-hexahydroquinoline;methane
SMILESC.C1=C2CCCNC2=CCC1
InChIInChI=1S/C9H13N.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;/h4,6,10H,1-3,5,7H2;1H4
InChIKeyFXTRRHSODZASKY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.61
Rot. Bonds

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

1,2,3,4,6,7-hexahydroquinoline;methane (PubChem CID 144640443) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,2,3,4,6,7-hexahydroquinoline;methane.

Molecular Properties

Compound Name1,2,3,4,6,7-hexahydroquinoline;methane
PubChem CID144640443
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,2,3,4,6,7-hexahydroquinoline;methane
SMILESC.C1=C2CCCNC2=CCC1
InChIInChI=1S/C9H13N.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;/h4,6,10H,1-3,5,7H2;1H4
InChIKeyFXTRRHSODZASKY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2,3,5,6,7-hexahydro-1,5-naphthyridine
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1-(cyclopenten-1-yl)cyclooctene
CID 91463872
ethane;3-methyl-1,2,3,4,6,7-hexahydroquinoline;2-methylpropane
CID 143482543
1,2,3,7-tetrahydrocyclohepta[b]pyrrole-5-thiol
CID 143296796
ethane;7-methyl-1,2,3,5-tetrahydrocyclohepta[b]pyrrole
CID 143185113
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CID 171384702
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CID 101354597

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7-hexahydroquinoline;methane?
The IUPAC name of 1,2,3,4,6,7-hexahydroquinoline;methane (CID 144640443) is 1,2,3,4,6,7-hexahydroquinoline;methane.
What is the SMILES notation for 1,2,3,4,6,7-hexahydroquinoline;methane?
The canonical SMILES for 1,2,3,4,6,7-hexahydroquinoline;methane is C.C1=C2CCCNC2=CCC1.
What is the InChIKey of 1,2,3,4,6,7-hexahydroquinoline;methane?
The InChIKey is FXTRRHSODZASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CH4/c1-2-6-9-8(4-1)5-3-7-10-9;/h4,6,10H,1-3,5,7H2;1H4.
What are the key properties of 1,2,3,4,6,7-hexahydroquinoline;methane?
1,2,3,4,6,7-hexahydroquinoline;methane has a molecular weight of 151.25 g/mol, XLogP of 2.61, 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-hexahydroquinoline;methane is sourced from PubChem (CID 144640443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).