1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine

C12H15N3 — CID 82572766

IUPAC1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine
SMILESCNc1ccc2ccnc(N(C)C)c2c1
InChIInChI=1S/C12H15N3/c1-13-10-5-4-9-6-7-14-12(15(2)3)11(9)8-10/h4-8,13H,1-3H3
InChIKeyHITFCYILVWEZSO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds2

About 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine

1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine (PubChem CID 82572766) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine
PubChem CID82572766
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine
SMILESCNc1ccc2ccnc(N(C)C)c2c1
InChIInChI=1S/C12H15N3/c1-13-10-5-4-9-6-7-14-12(15(2)3)11(9)8-10/h4-8,13H,1-3H3
InChIKeyHITFCYILVWEZSO-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,7-N-trimethylisoquinoline-1,7-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

N,N-dimethylisoquinolin-1-amine
CID 10313317
N-methyl-1-(pyridin-3-ylmethoxy)isoquinolin-7-amine
CID 82572547
3-N,3-N,6-N-trimethylacridine-3,6-diamine
CID 59205810
4-chloro-N-methylquinolin-6-amine
CID 157043807
N-methyl-6-methylsulfanylphenanthren-3-amine
CID 155283661
N-methyl-1-propan-2-yloxyisoquinolin-6-amine
CID 82572571
N,7-dimethylisoquinolin-1-amine
CID 59108894
5-(methylamino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 123689465
N-butyl-N,7-dimethylisoquinolin-1-amine
CID 142242673
N,N,3-trimethyl-5-[4-(methylamino)phenyl]pyridin-2-amine
CID 134417339
7-(dimethylamino)isoquinoline-1-carbonitrile
CID 82571507
1-[(1-amino-2-methylpropan-2-yl)-methylamino]isoquinolin-7-ol
CID 106543534

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine?
The IUPAC name of 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine (CID 82572766) is 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine.
What is the SMILES notation for 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine?
The canonical SMILES for 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine is CNc1ccc2ccnc(N(C)C)c2c1.
What is the InChIKey of 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine?
The InChIKey is HITFCYILVWEZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-13-10-5-4-9-6-7-14-12(15(2)3)11(9)8-10/h4-8,13H,1-3H3.
What are the key properties of 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine?
1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine has a molecular weight of 201.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine is sourced from PubChem (CID 82572766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).