1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

C14H24N2 — CID 115346441

IUPAC1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H24N2/c1-11-8-12(2)10-13(9-11)14(15-3)6-7-16(4)5/h8-10,14-15H,6-7H2,1-5H3
InChIKeyQIRKGHVDBKRRAZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.52
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine

1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346441) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346441
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H24N2/c1-11-8-12(2)10-13(9-11)14(15-3)6-7-16(4)5/h8-10,14-15H,6-7H2,1-5H3
InChIKeyQIRKGHVDBKRRAZ-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412351
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
1-(3-ethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346411
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346441) is 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is QIRKGHVDBKRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-8-12(2)10-13(9-11)14(15-3)6-7-16(4)5/h8-10,14-15H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).