2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine

C15H26N2 — CID 115198955

IUPAC2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
SMILESCc1cccc(C(C)(C)CNCC(C)CN)c1
InChIInChI=1S/C15H26N2/c1-12-6-5-7-14(8-12)15(3,4)11-17-10-13(2)9-16/h5-8,13,17H,9-11,16H2,1-4H3
InChIKeyLIBAYXDBYDRZRO-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.46
Rot. Bonds6

About 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine

2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine (PubChem CID 115198955) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
PubChem CID115198955
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
SMILESCc1cccc(C(C)(C)CNCC(C)CN)c1
InChIInChI=1S/C15H26N2/c1-12-6-5-7-14(8-12)15(3,4)11-17-10-13(2)9-16/h5-8,13,17H,9-11,16H2,1-4H3
InChIKeyLIBAYXDBYDRZRO-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine (CID 115198955) is 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine is Cc1cccc(C(C)(C)CNCC(C)CN)c1.
What is the InChIKey of 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine?
The InChIKey is LIBAYXDBYDRZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-5-7-14(8-12)15(3,4)11-17-10-13(2)9-16/h5-8,13,17H,9-11,16H2,1-4H3.
What are the key properties of 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine?
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 115198955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).