2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine

C17H29N3 — CID 103189516

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1Cc2ccccc2CN1)C(C)CN(C)C
InChIInChI=1S/C17H29N3/c1-5-20(14(2)12-19(3)4)13-17-10-15-8-6-7-9-16(15)11-18-17/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyDALJZYCCMCISSN-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.97
Rot. Bonds6

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine (PubChem CID 103189516) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine
PubChem CID103189516
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1Cc2ccccc2CN1)C(C)CN(C)C
InChIInChI=1S/C17H29N3/c1-5-20(14(2)12-19(3)4)13-17-10-15-8-6-7-9-16(15)11-18-17/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyDALJZYCCMCISSN-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine with MolForge

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
1-Benzylpiperazine
CID 75994
Benzhydrylpiperazine
CID 70048
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-(1-Naphthylmethyl)piperazine
CID 701891
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
Norbenzphetamine
CID 102554
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine (CID 103189516) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine is CCN(CC1Cc2ccccc2CN1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is DALJZYCCMCISSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20(14(2)12-19(3)4)13-17-10-15-8-6-7-9-16(15)11-18-17/h6-9,14,17-18H,5,10-13H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).