methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline

C18H27N3 — CID 159544470

IUPACmethane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
SMILESC.C[C@@H]1CCN(Cc2ccc3cnccc3c2)CCNC1
InChIInChI=1S/C17H23N3.CH4/c1-14-5-8-20(9-7-19-11-14)13-15-2-3-17-12-18-6-4-16(17)10-15;/h2-4,6,10,12,14,19H,5,7-9,11,13H2,1H3;1H4/t14-;/m1./s1
InChIKeyMEPWCCIDZCKGHB-PFEQFJNWSA-N
MW285.44 g/mol
LogP3.30
Rot. Bonds2

About methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline

methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline (PubChem CID 159544470) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline.

Molecular Properties

Compound Namemethane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
PubChem CID159544470
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Namemethane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
SMILESC.C[C@@H]1CCN(Cc2ccc3cnccc3c2)CCNC1
InChIInChI=1S/C17H23N3.CH4/c1-14-5-8-20(9-7-19-11-14)13-15-2-3-17-12-18-6-4-16(17)10-15;/h2-4,6,10,12,14,19H,5,7-9,11,13H2,1H3;1H4/t14-;/m1./s1
InChIKeyMEPWCCIDZCKGHB-PFEQFJNWSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline?
The IUPAC name of methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline (CID 159544470) is methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline.
What is the SMILES notation for methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline?
The canonical SMILES for methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline is C.C[C@@H]1CCN(Cc2ccc3cnccc3c2)CCNC1.
What is the InChIKey of methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline?
The InChIKey is MEPWCCIDZCKGHB-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H23N3.CH4/c1-14-5-8-20(9-7-19-11-14)13-15-2-3-17-12-18-6-4-16(17)10-15;/h2-4,6,10,12,14,19H,5,7-9,11,13H2,1H3;1H4/t14-;/m1./s1.
What are the key properties of methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline?
methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline has a molecular weight of 285.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline is sourced from PubChem (CID 159544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).