8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine

C17H23N3 — CID 103137554

IUPAC8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
SMILESCC1CCC(N(C)c2ccc(N)c3ccncc23)CC1
InChIInChI=1S/C17H23N3/c1-12-3-5-13(6-4-12)20(2)17-8-7-16(18)14-9-10-19-11-15(14)17/h7-13H,3-6,18H2,1-2H3
InChIKeyDMDBKLDUQSLBBH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.83
Rot. Bonds2

About 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine

8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine (PubChem CID 103137554) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
PubChem CID103137554
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
SMILESCC1CCC(N(C)c2ccc(N)c3ccncc23)CC1
InChIInChI=1S/C17H23N3/c1-12-3-5-13(6-4-12)20(2)17-8-7-16(18)14-9-10-19-11-15(14)17/h7-13H,3-6,18H2,1-2H3
InChIKeyDMDBKLDUQSLBBH-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
CID 61451033
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
3-[methyl-(4-methylcyclohexyl)amino]pyridine-4-carbothioamide
CID 114288280
8-N-(2,2-difluoroethyl)-8-N-methylisoquinoline-5,8-diamine
CID 103139247
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
CID 106947696
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
8-N-cyclopropyl-8-N-(thiophen-3-ylmethyl)isoquinoline-5,8-diamine
CID 103137550
8-N-[2-(cyclopropylmethoxy)ethyl]-8-N-methylisoquinoline-5,8-diamine
CID 103138752
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
CID 63631040

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine (CID 103137554) is 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine is CC1CCC(N(C)c2ccc(N)c3ccncc23)CC1.
What is the InChIKey of 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine?
The InChIKey is DMDBKLDUQSLBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-3-5-13(6-4-12)20(2)17-8-7-16(18)14-9-10-19-11-15(14)17/h7-13H,3-6,18H2,1-2H3.
What are the key properties of 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine?
8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103137554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).