N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine

C18H28N4 — CID 42795776

IUPACN',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(Cn2ccnc2CNCCN(C)C)c(C)c1
InChIInChI=1S/C18H28N4/c1-14-10-15(2)17(16(3)11-14)13-22-9-7-20-18(22)12-19-6-8-21(4)5/h7,9-11,19H,6,8,12-13H2,1-5H3
InChIKeyDRLFDQUAMJNJQQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.51
Rot. Bonds7

About N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine (PubChem CID 42795776) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine
PubChem CID42795776
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine
SMILESCc1cc(C)c(Cn2ccnc2CNCCN(C)C)c(C)c1
InChIInChI=1S/C18H28N4/c1-14-10-15(2)17(16(3)11-14)13-22-9-7-20-18(22)12-19-6-8-21(4)5/h7,9-11,19H,6,8,12-13H2,1-5H3
InChIKeyDRLFDQUAMJNJQQ-UHFFFAOYSA-N
XLogP2.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine (CID 42795776) is N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine is Cc1cc(C)c(Cn2ccnc2CNCCN(C)C)c(C)c1.
What is the InChIKey of N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is DRLFDQUAMJNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-14-10-15(2)17(16(3)11-14)13-22-9-7-20-18(22)12-19-6-8-21(4)5/h7,9-11,19H,6,8,12-13H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 300.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 42795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).