6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline

C18H25N3 — CID 58080818

IUPAC6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
SMILESC[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1
InChIKeyZWJPVNOXUIQWGF-OAHLLOKOSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds2

About 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline

6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline (PubChem CID 58080818) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline.

Molecular Properties

Compound Name6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
PubChem CID58080818
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline
SMILESC[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1
InChIInChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1
InChIKeyZWJPVNOXUIQWGF-OAHLLOKOSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2R,7R)-2,7-dimethyl-1,4-diazepan-1-yl]methyl]isoquinoline;methane
CID 158799740
5-bromo-6-[[(2R)-2-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
CID 58080946
methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
CID 159544470
tert-butyl (3R)-4-(isoquinolin-6-ylmethyl)-3-methyl-1,4-diazonane-1-carboxylate
CID 58080876
6-[[(2S)-2-methyl-1,4-diazocan-1-yl]sulfonyl]isoquinoline;dihydrochloride
CID 66727195
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,4-diazepane
CID 82303795
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
(3R)-3-ethyl-4-(2-isoquinolin-6-ylacetyl)-1,4-diazepan-2-one
CID 136586977
1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
CID 71639563
6-[(2-methyl-1,4,7-triazonan-1-yl)sulfonyl]isoquinoline
CID 66727163

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The IUPAC name of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline (CID 58080818) is 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline.
What is the SMILES notation for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The canonical SMILES for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline is C[C@@H]1CNCCCCCN1Cc1ccc2cnccc2c1.
What is the InChIKey of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
The InChIKey is ZWJPVNOXUIQWGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3/c1-15-12-19-8-3-2-4-10-21(15)14-16-5-6-18-13-20-9-7-17(18)11-16/h5-7,9,11,13,15,19H,2-4,8,10,12,14H2,1H3/t15-/m1/s1.
What are the key properties of 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline?
6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline has a molecular weight of 283.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-methyl-1,4-diazonan-1-yl]methyl]isoquinoline is sourced from PubChem (CID 58080818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).