1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C18H25N3 — CID 107038834

IUPAC1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc3cnccc3c2)CCCC1
InChIInChI=1S/C18H25N3/c1-21(2)18(8-3-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,3-4,8-9,12,14H2,1-2H3
InChIKeyLPFODNLSCYXTOM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds5

About 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 107038834) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID107038834
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2ccc3cnccc3c2)CCCC1
InChIInChI=1S/C18H25N3/c1-21(2)18(8-3-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,3-4,8-9,12,14H2,1-2H3
InChIKeyLPFODNLSCYXTOM-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 107037893
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493

Frequently Asked Questions

What is the IUPAC name of 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 107038834) is 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2ccc3cnccc3c2)CCCC1.
What is the InChIKey of 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is LPFODNLSCYXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21(2)18(8-3-4-9-18)14-20-12-15-5-6-17-13-19-10-7-16(17)11-15/h5-7,10-11,13,20H,3-4,8-9,12,14H2,1-2H3.
What are the key properties of 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(isoquinolin-6-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107038834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).