1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine

C16H28N2 — CID 116905573

IUPAC1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
SMILESCc1cc(C)c(C(CCC(C)N)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11-9-12(2)16(13(3)10-11)15(18(5)6)8-7-14(4)17/h9-10,14-15H,7-8,17H2,1-6H3
InChIKeyZADQDSAXXYITLO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.34
Rot. Bonds5

About 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine

1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine (PubChem CID 116905573) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
PubChem CID116905573
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
SMILESCc1cc(C)c(C(CCC(C)N)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11-9-12(2)16(13(3)10-11)15(18(5)6)8-7-14(4)17/h9-10,14-15H,7-8,17H2,1-6H3
InChIKeyZADQDSAXXYITLO-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905466
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-N,1-N-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116905628
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
CID 83940208
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905619
N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43272878
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine (CID 116905573) is 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine is Cc1cc(C)c(C(CCC(C)N)N(C)C)c(C)c1.
What is the InChIKey of 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine?
The InChIKey is ZADQDSAXXYITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-9-12(2)16(13(3)10-11)15(18(5)6)8-7-14(4)17/h9-10,14-15H,7-8,17H2,1-6H3.
What are the key properties of 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine?
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116905573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).