5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine

C16H21N3 — CID 63631040

IUPAC5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
SMILESCN(CC1CCCC1)c1ccc(N)c2cnccc12
InChIInChI=1S/C16H21N3/c1-19(11-12-4-2-3-5-12)16-7-6-15(17)14-10-18-9-8-13(14)16/h6-10,12H,2-5,11,17H2,1H3
InChIKeySADNJLTXSNZWNU-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.44
Rot. Bonds3

About 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine

5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine (PubChem CID 63631040) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
PubChem CID63631040
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
SMILESCN(CC1CCCC1)c1ccc(N)c2cnccc12
InChIInChI=1S/C16H21N3/c1-19(11-12-4-2-3-5-12)16-7-6-15(17)14-10-18-9-8-13(14)16/h6-10,12H,2-5,11,17H2,1H3
InChIKeySADNJLTXSNZWNU-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-(cyclopropylmethyl)-5-N-propan-2-ylisoquinoline-5,8-diamine
CID 55001589
5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
CID 61451033
8-N-[2-(cyclopropylmethoxy)ethyl]-8-N-methylisoquinoline-5,8-diamine
CID 103138752
2-[(8-aminoisoquinolin-5-yl)-methylamino]-N,N-dimethylacetamide
CID 43448835
[4-[cyclopentylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237899
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-8-nitroisoquinolin-5-amine
CID 133315097
8-N-methyl-8-N-(1-methylpiperidin-3-yl)isoquinoline-5,8-diamine
CID 103138139
5-N-methyl-5-N-(oxolan-3-yl)isoquinoline-5,8-diamine
CID 82741316
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-8-nitroisoquinolin-5-amine
CID 133288140
8-N-(2,2-difluoroethyl)-8-N-methylisoquinoline-5,8-diamine
CID 103139247
4-N-(cyclobutylmethyl)-4-N-methyl-2,1,3-benzoxadiazole-4,7-diamine
CID 62862167
5-N-(3-ethylcyclohexyl)isoquinoline-5,8-diamine
CID 64748413

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine (CID 63631040) is 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine is CN(CC1CCCC1)c1ccc(N)c2cnccc12.
What is the InChIKey of 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine?
The InChIKey is SADNJLTXSNZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(11-12-4-2-3-5-12)16-7-6-15(17)14-10-18-9-8-13(14)16/h6-10,12H,2-5,11,17H2,1H3.
What are the key properties of 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine?
5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine is sourced from PubChem (CID 63631040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).