1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine

C13H17N3 — CID 13221246

IUPAC1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine
SMILESCN(C)c1cc2ccccc2c(N(C)C)n1
InChIInChI=1S/C13H17N3/c1-15(2)12-9-10-7-5-6-8-11(10)13(14-12)16(3)4/h5-9H,1-4H3
InChIKeyDEOIVPRRCSCGJN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds2

About 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine

1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine (PubChem CID 13221246) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine
PubChem CID13221246
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine
SMILESCN(C)c1cc2ccccc2c(N(C)C)n1
InChIInChI=1S/C13H17N3/c1-15(2)12-9-10-7-5-6-8-11(10)13(14-12)16(3)4/h5-9H,1-4H3
InChIKeyDEOIVPRRCSCGJN-UHFFFAOYSA-N
XLogP2.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,N-dimethylisoquinolin-1-amine
CID 57431935
1-(dimethylamino)isoquinoline-3-carboxylic acid
CID 43166521
N,N-dimethylisoquinolin-1-amine
CID 10313317
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
N-methyl-N-phenanthren-9-ylisoquinolin-1-amine
CID 89072690
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
3-tert-butyl-N,N-dimethylnaphthalen-1-amine
CID 170263067

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine (CID 13221246) is 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine is CN(C)c1cc2ccccc2c(N(C)C)n1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine?
The InChIKey is DEOIVPRRCSCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15(2)12-9-10-7-5-6-8-11(10)13(14-12)16(3)4/h5-9H,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine?
1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetramethylisoquinoline-1,3-diamine is sourced from PubChem (CID 13221246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).