1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine

C15H26N2O2 — CID 115203758

IUPAC1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1cc(C)c(N(C)CCCC(C)N)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-11-9-13(18-4)10-14(19-5)15(11)17(3)8-6-7-12(2)16/h9-10,12H,6-8,16H2,1-5H3
InChIKeyQTGKHTRNNWEZKJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.58
Rot. Bonds7

About 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine

1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 115203758) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID115203758
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCOc1cc(C)c(N(C)CCCC(C)N)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-11-9-13(18-4)10-14(19-5)15(11)17(3)8-6-7-12(2)16/h9-10,12H,6-8,16H2,1-5H3
InChIKeyQTGKHTRNNWEZKJ-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-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

1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203766
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
CID 115119574
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
CID 115231605

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine (CID 115203758) is 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine is COc1cc(C)c(N(C)CCCC(C)N)c(OC)c1.
What is the InChIKey of 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is QTGKHTRNNWEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-9-13(18-4)10-14(19-5)15(11)17(3)8-6-7-12(2)16/h9-10,12H,6-8,16H2,1-5H3.
What are the key properties of 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).