5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine

C14H20N4 — CID 102712923

IUPAC5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine
SMILESCc1cc2c(NCCN(C)C)ccc(N)c2cn1
InChIInChI=1S/C14H20N4/c1-10-8-11-12(9-17-10)13(15)4-5-14(11)16-6-7-18(2)3/h4-5,8-9,16H,6-7,15H2,1-3H3
InChIKeyTWDKFWBEHRPEAS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds4

About 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine

5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine (PubChem CID 102712923) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine
PubChem CID102712923
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine
SMILESCc1cc2c(NCCN(C)C)ccc(N)c2cn1
InChIInChI=1S/C14H20N4/c1-10-8-11-12(9-17-10)13(15)4-5-14(11)16-6-7-18(2)3/h4-5,8-9,16H,6-7,15H2,1-3H3
InChIKeyTWDKFWBEHRPEAS-UHFFFAOYSA-N
XLogP2.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[4-(dimethylamino)butan-2-yl]-3-methylisoquinoline-5,8-diamine
CID 102713208
5-N-(2-ethoxyethyl)-3-methylisoquinoline-5,8-diamine
CID 102713105
5-[(8-amino-3-methylisoquinolin-5-yl)amino]pentan-1-ol
CID 107316515
N-[2-[(8-amino-3-methylisoquinolin-5-yl)amino]ethyl]acetamide
CID 102713077
3-methyl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 102713442
3-methyl-5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]isoquinoline-5,8-diamine
CID 106393818
3-methyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine
CID 102712947
5-N-[(4-bromophenyl)methyl]-3-methylisoquinoline-5,8-diamine
CID 102713014
3-methyl-5-N-(1,2-oxazol-5-ylmethyl)isoquinoline-5,8-diamine
CID 106414574
5-N-(1H-imidazol-5-ylmethyl)-3-methylisoquinoline-5,8-diamine
CID 102713482
3-methyl-5-N-(1H-pyrazol-4-ylmethyl)isoquinoline-5,8-diamine
CID 102713215
5-N-(2-cyclopropylpropyl)-3-methylisoquinoline-5,8-diamine
CID 102713629

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine (CID 102712923) is 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine is Cc1cc2c(NCCN(C)C)ccc(N)c2cn1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine?
The InChIKey is TWDKFWBEHRPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-8-11-12(9-17-10)13(15)4-5-14(11)16-6-7-18(2)3/h4-5,8-9,16H,6-7,15H2,1-3H3.
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine?
5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-3-methylisoquinoline-5,8-diamine is sourced from PubChem (CID 102712923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).