1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine

C17H17N3 — CID 82572671

IUPAC1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine
SMILESCN(C)c1nccc2c(Nc3ccccc3)cccc12
InChIInChI=1S/C17H17N3/c1-20(2)17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,1-2H3
InChIKeyTXURYQSFXMIHLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.04
Rot. Bonds3

About 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine

1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine (PubChem CID 82572671) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine
PubChem CID82572671
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine
SMILESCN(C)c1nccc2c(Nc3ccccc3)cccc12
InChIInChI=1S/C17H17N3/c1-20(2)17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,1-2H3
InChIKeyTXURYQSFXMIHLL-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
CID 82572283
2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
CID 129150933
1-ethoxy-N-phenylisoquinolin-5-amine
CID 82572609
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
N,N-dimethylisoquinolin-1-amine
CID 10313317
2-[methyl-[5-(methylamino)isoquinolin-1-yl]amino]acetic acid
CID 82572689
5-butyl-N,N-dimethylisoquinolin-1-amine
CID 122392842
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine?
The IUPAC name of 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine (CID 82572671) is 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine is CN(C)c1nccc2c(Nc3ccccc3)cccc12.
What is the InChIKey of 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine?
The InChIKey is TXURYQSFXMIHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20(2)17-15-9-6-10-16(14(15)11-12-18-17)19-13-7-4-3-5-8-13/h3-12,19H,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine?
1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine is sourced from PubChem (CID 82572671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).