N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine

C15H26N2 — CID 43272877

IUPACN'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-6-13(4)17(5)10-15(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,6,10,16H2,1-5H3
InChIKeyOWOQUGHYLHQWJA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds5

About N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 43272877) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID43272877
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-6-13(4)17(5)10-15(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,6,10,16H2,1-5H3
InChIKeyOWOQUGHYLHQWJA-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43272878
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 63470194
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450976
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 43272877) is N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine is CCC(C)N(C)CC(N)c1cc(C)ccc1C.
What is the InChIKey of N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is OWOQUGHYLHQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-13(4)17(5)10-15(16)14-9-11(2)7-8-12(14)3/h7-9,13,15H,6,10,16H2,1-5H3.
What are the key properties of N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43272877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).