1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine

C14H17N3O2 — CID 82570315

IUPAC1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine
SMILESCOc1cc(N)c2ccnc(NC3CC3)c2c1OC
InChIInChI=1S/C14H17N3O2/c1-18-11-7-10(15)9-5-6-16-14(17-8-3-4-8)12(9)13(11)19-2/h5-8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyNXAMCMIHHLHOPH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds4

About 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine

1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine (PubChem CID 82570315) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine
PubChem CID82570315
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine
SMILESCOc1cc(N)c2ccnc(NC3CC3)c2c1OC
InChIInChI=1S/C14H17N3O2/c1-18-11-7-10(15)9-5-6-16-14(17-8-3-4-8)12(9)13(11)19-2/h5-8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyNXAMCMIHHLHOPH-UHFFFAOYSA-N
XLogP2.41
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-5,6-dimethoxyisoquinoline-1,8-diamine
CID 82569860
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
1-N-(2-aminoethyl)-5,6-dimethoxyisoquinoline-1,8-diamine
CID 82569866
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol
CID 98759676
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
CID 82570043
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine?
The IUPAC name of 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine (CID 82570315) is 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine.
What is the SMILES notation for 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine?
The canonical SMILES for 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine is COc1cc(N)c2ccnc(NC3CC3)c2c1OC.
What is the InChIKey of 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine?
The InChIKey is NXAMCMIHHLHOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-11-7-10(15)9-5-6-16-14(17-8-3-4-8)12(9)13(11)19-2/h5-8H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine?
1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine is sourced from PubChem (CID 82570315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).