3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine

C17H21N3 — CID 129170243

IUPAC3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine
SMILESC=C(Nc1cc2ccc(NC(C)C)cc2cn1)C1CC1
InChIInChI=1S/C17H21N3/c1-11(2)19-16-7-6-14-9-17(18-10-15(14)8-16)20-12(3)13-4-5-13/h6-11,13,19H,3-5H2,1-2H3,(H,18,20)
InChIKeyLZSDPRUZCFFUPI-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.39
Rot. Bonds5

About 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine

3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine (PubChem CID 129170243) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine
PubChem CID129170243
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine
SMILESC=C(Nc1cc2ccc(NC(C)C)cc2cn1)C1CC1
InChIInChI=1S/C17H21N3/c1-11(2)19-16-7-6-14-9-17(18-10-15(14)8-16)20-12(3)13-4-5-13/h6-11,13,19H,3-5H2,1-2H3,(H,18,20)
InChIKeyLZSDPRUZCFFUPI-UHFFFAOYSA-N
XLogP4.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethenyl)-7-(2,5-dimethylphenyl)isoquinolin-3-amine
CID 129169928
7-(2-chloro-5-fluoro-3-pyridinyl)-N-(1-cyclopropylethenyl)isoquinolin-3-amine
CID 129169917
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
N-[1-(1-propan-2-ylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166955081
N-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166954454
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-[(1S,2R)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide;N-[7-[(1R,2S)-2-hydroxycyclopentyl]oxyisoquinolin-3-yl]cyclopropanecarboxamide
CID 161326719
N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702482
N-[1-[1-(4-methylpentyl)piperidin-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954940
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586
6-(1-methylpyrazol-4-yl)-N-[1-[1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954852

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine?
The IUPAC name of 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine (CID 129170243) is 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine is C=C(Nc1cc2ccc(NC(C)C)cc2cn1)C1CC1.
What is the InChIKey of 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine?
The InChIKey is LZSDPRUZCFFUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11(2)19-16-7-6-14-9-17(18-10-15(14)8-16)20-12(3)13-4-5-13/h6-11,13,19H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine?
3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine has a molecular weight of 267.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine is sourced from PubChem (CID 129170243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).