N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine

C17H29N3 — CID 102993888

IUPACN'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H29N3/c1-5-20(12-6-11-19(3)4)16-9-10-17-15(13-16)8-7-14(2)18-17/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyVYBUYILOQJGZBI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.21
Rot. Bonds6

About N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine (PubChem CID 102993888) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine
PubChem CID102993888
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine
SMILESCCN(CCCN(C)C)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H29N3/c1-5-20(12-6-11-19(3)4)16-9-10-17-15(13-16)8-7-14(2)18-17/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyVYBUYILOQJGZBI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine (CID 102993888) is N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine is CCN(CCCN(C)C)c1ccc2c(c1)CCC(C)N2.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine?
The InChIKey is VYBUYILOQJGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20(12-6-11-19(3)4)16-9-10-17-15(13-16)8-7-14(2)18-17/h9-10,13-14,18H,5-8,11-12H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 102993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).