N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine

C15H25N3 — CID 62072227

IUPACN',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H25N3/c1-17(2)10-8-16-12-13-6-7-15-14(11-13)5-4-9-18(15)3/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyMZEIQUBYFBXUHY-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.72
Rot. Bonds5

About N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine (PubChem CID 62072227) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
PubChem CID62072227
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
SMILESCN(C)CCNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H25N3/c1-17(2)10-8-16-12-13-6-7-15-14(11-13)5-4-9-18(15)3/h6-7,11,16H,4-5,8-10,12H2,1-3H3
InChIKeyMZEIQUBYFBXUHY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine (CID 62072227) is N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine is CN(C)CCNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine?
The InChIKey is MZEIQUBYFBXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)10-8-16-12-13-6-7-15-14(11-13)5-4-9-18(15)3/h6-7,11,16H,4-5,8-10,12H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62072227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).