N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine

C15H25N3 — CID 63940726

IUPACN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)C1CNCc2ccccc21
InChIInChI=1S/C15H25N3/c1-17(2)9-6-10-18(3)15-12-16-11-13-7-4-5-8-14(13)15/h4-5,7-8,15-16H,6,9-12H2,1-3H3
InChIKeyYTCHLYPKIUYXBN-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.71
Rot. Bonds5

About N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine (PubChem CID 63940726) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
PubChem CID63940726
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)C1CNCc2ccccc21
InChIInChI=1S/C15H25N3/c1-17(2)9-6-10-18(3)15-12-16-11-13-7-4-5-8-14(13)15/h4-5,7-8,15-16H,6,9-12H2,1-3H3
InChIKeyYTCHLYPKIUYXBN-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 81056408
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63982759
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939368
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
4-[methyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]butanoic acid
CID 65261957
N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260840
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
CID 65486181
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine (CID 63940726) is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine is CN(C)CCCN(C)C1CNCc2ccccc21.
What is the InChIKey of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine?
The InChIKey is YTCHLYPKIUYXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)9-6-10-18(3)15-12-16-11-13-7-4-5-8-14(13)15/h4-5,7-8,15-16H,6,9-12H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 63940726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).