1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine

C15H22N4 — CID 82570281

IUPAC1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
SMILESCCN(CC)CCNc1nccc2c(N)cccc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)11-10-18-15-13-6-5-7-14(16)12(13)8-9-17-15/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyDQIWIYBRECSKRR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.57
Rot. Bonds6

About 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine

1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine (PubChem CID 82570281) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
PubChem CID82570281
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
SMILESCCN(CC)CCNc1nccc2c(N)cccc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)11-10-18-15-13-6-5-7-14(16)12(13)8-9-17-15/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyDQIWIYBRECSKRR-UHFFFAOYSA-N
XLogP2.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
1-N-prop-2-enylisoquinoline-1,5-diamine
CID 82570222
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911728
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337
N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
CID 143389811
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine?
The IUPAC name of 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine (CID 82570281) is 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine.
What is the SMILES notation for 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine?
The canonical SMILES for 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine is CCN(CC)CCNc1nccc2c(N)cccc12.
What is the InChIKey of 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine?
The InChIKey is DQIWIYBRECSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(4-2)11-10-18-15-13-6-5-7-14(16)12(13)8-9-17-15/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine?
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine is sourced from PubChem (CID 82570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).