2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine

C15H26N2 — CID 79054269

IUPAC2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(C(N)C(C)(C)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-7-12-8-10-13(11-9-12)14(16)15(2,3)17(4)5/h8-11,14H,6-7,16H2,1-5H3
InChIKeyRBEFCKIGEOYAJX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.98
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine (PubChem CID 79054269) 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-(4-propylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
PubChem CID79054269
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
SMILESCCCc1ccc(C(N)C(C)(C)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-7-12-8-10-13(11-9-12)14(16)15(2,3)17(4)5/h8-11,14H,6-7,16H2,1-5H3
InChIKeyRBEFCKIGEOYAJX-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
dimethylamino-(4-propylphenyl)methanethiol
CID 116909375
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine (CID 79054269) is 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine is CCCc1ccc(C(N)C(C)(C)N(C)C)cc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine?
The InChIKey is RBEFCKIGEOYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-7-12-8-10-13(11-9-12)14(16)15(2,3)17(4)5/h8-11,14H,6-7,16H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.98, 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-(4-propylphenyl)propane-1,2-diamine is sourced from PubChem (CID 79054269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).