5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine

C12H19N3 — CID 167201846

IUPAC5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine
SMILESCN1CCc2c(cc(N)cc2N(C)C)C1
InChIInChI=1S/C12H19N3/c1-14(2)12-7-10(13)6-9-8-15(3)5-4-11(9)12/h6-7H,4-5,8,13H2,1-3H3
InChIKeyNEFJXOOIRFOGLO-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.32
Rot. Bonds1

About 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine

5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine (PubChem CID 167201846) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine.

Molecular Properties

Compound Name5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine
PubChem CID167201846
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine
SMILESCN1CCc2c(cc(N)cc2N(C)C)C1
InChIInChI=1S/C12H19N3/c1-14(2)12-7-10(13)6-9-8-15(3)5-4-11(9)12/h6-7H,4-5,8,13H2,1-3H3
InChIKeyNEFJXOOIRFOGLO-UHFFFAOYSA-N
XLogP1.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201837
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747
5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201751
2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201726
2-methyl-5-(1H-pyrrol-2-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 170029413
7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 18687351
7-tert-butyl-2-methyl-5-prop-1-ynyl-3,4-dihydro-1H-isoquinoline
CID 171575502
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 174930590
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
CID 171517410
1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine
CID 146338288

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine?
The IUPAC name of 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine (CID 167201846) is 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine.
What is the SMILES notation for 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine?
The canonical SMILES for 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine is CN1CCc2c(cc(N)cc2N(C)C)C1.
What is the InChIKey of 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine?
The InChIKey is NEFJXOOIRFOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14(2)12-7-10(13)6-9-8-15(3)5-4-11(9)12/h6-7H,4-5,8,13H2,1-3H3.
What are the key properties of 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine?
5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine is sourced from PubChem (CID 167201846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).