N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine

C14H19N3 — CID 143389811

IUPACN',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
SMILESCc1cccc2c(NCCN(C)C)nccc12
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13-12(11)7-8-15-14(13)16-9-10-17(2)3/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyNPNRHKILLUXQQO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds4

About N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 143389811) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID143389811
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
SMILESCc1cccc2c(NCCN(C)C)nccc12
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13-12(11)7-8-15-14(13)16-9-10-17(2)3/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyNPNRHKILLUXQQO-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-1-yl-N',N'-dimethylethane-1,2-diamine;dihydrate;dihydrobromide
CID 51057783
2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911728
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
CID 82570281
1-fluoro-5-methylisoquinoline
CID 151947623
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3068044
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine (CID 143389811) is N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine is Cc1cccc2c(NCCN(C)C)nccc12.
What is the InChIKey of N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is NPNRHKILLUXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-4-6-13-12(11)7-8-15-14(13)16-9-10-17(2)3/h4-8H,9-10H2,1-3H3,(H,15,16).
What are the key properties of N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 143389811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).