2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine

C15H26N2 — CID 43767786

IUPAC2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cccc(C(C)NCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H26N2/c1-12-8-7-9-14(10-12)13(2)16-11-15(3,4)17(5)6/h7-10,13,16H,11H2,1-6H3
InChIKeyIHNPLGWGKWOFJV-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.99
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine (PubChem CID 43767786) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
PubChem CID43767786
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cccc(C(C)NCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H26N2/c1-12-8-7-9-14(10-12)13(2)16-11-15(3,4)17(5)6/h7-10,13,16H,11H2,1-6H3
InChIKeyIHNPLGWGKWOFJV-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419088
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 104644812
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
CID 43504729
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769
N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine (CID 43767786) is 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine is Cc1cccc(C(C)NCC(C)(C)N(C)C)c1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is IHNPLGWGKWOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-8-7-9-14(10-12)13(2)16-11-15(3,4)17(5)6/h7-10,13,16H,11H2,1-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 43767786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).