N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine

C16H23N3 — CID 105378209

IUPACN',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2cc(CNCCCN(C)C)ccc2n1
InChIInChI=1S/C16H23N3/c1-13-5-7-15-11-14(6-8-16(15)18-13)12-17-9-4-10-19(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyACKDYXQDLNBWMC-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.58
Rot. Bonds6

About N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine

N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine (PubChem CID 105378209) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
PubChem CID105378209
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2cc(CNCCCN(C)C)ccc2n1
InChIInChI=1S/C16H23N3/c1-13-5-7-15-11-14(6-8-16(15)18-13)12-17-9-4-10-19(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyACKDYXQDLNBWMC-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[(3-fluoro-4-methylphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63646355
3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81221614
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine (CID 105378209) is N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine is Cc1ccc2cc(CNCCCN(C)C)ccc2n1.
What is the InChIKey of N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine?
The InChIKey is ACKDYXQDLNBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-5-7-15-11-14(6-8-16(15)18-13)12-17-9-4-10-19(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 105378209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).