6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine

C16H22N4O — CID 106947816

IUPAC6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
SMILESCC(CN1CCOCC1)Nc1ccc2cnccc2c1N
InChIInChI=1S/C16H22N4O/c1-12(11-20-6-8-21-9-7-20)19-15-3-2-13-10-18-5-4-14(13)16(15)17/h2-5,10,12,19H,6-9,11,17H2,1H3
InChIKeyFIDUEKOVUGXHKL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds4

About 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine

6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine (PubChem CID 106947816) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
PubChem CID106947816
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
SMILESCC(CN1CCOCC1)Nc1ccc2cnccc2c1N
InChIInChI=1S/C16H22N4O/c1-12(11-20-6-8-21-9-7-20)19-15-3-2-13-10-18-5-4-14(13)16(15)17/h2-5,10,12,19H,6-9,11,17H2,1H3
InChIKeyFIDUEKOVUGXHKL-UHFFFAOYSA-N
XLogP1.95
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
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

6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-4-amine
CID 94220826
6-N-(oxan-4-ylmethyl)isoquinoline-5,6-diamine
CID 106948100
6-N-(1-cyclopropylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948121
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
CID 106948405
1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
CID 106538109
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyrazin-2-amine
CID 47370622
6-(1,4-oxazepan-4-yl)isoquinolin-5-amine
CID 106948042
6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106948437
6,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinolin-4-amine
CID 122570270

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine?
The IUPAC name of 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine (CID 106947816) is 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine is CC(CN1CCOCC1)Nc1ccc2cnccc2c1N.
What is the InChIKey of 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine?
The InChIKey is FIDUEKOVUGXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(11-20-6-8-21-9-7-20)19-15-3-2-13-10-18-5-4-14(13)16(15)17/h2-5,10,12,19H,6-9,11,17H2,1H3.
What are the key properties of 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine?
6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine is sourced from PubChem (CID 106947816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).