1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine

C15H26N2 — CID 62427810

IUPAC1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCNCC(CC)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-14(12-16-6-2)17(7-3)15-10-8-9-13(4)11-15/h8-11,14,16H,5-7,12H2,1-4H3
InChIKeyNUEWPHJGEXOTQF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds7

About 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine

1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine (PubChem CID 62427810) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
PubChem CID62427810
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCNCC(CC)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-14(12-16-6-2)17(7-3)15-10-8-9-13(4)11-15/h8-11,14,16H,5-7,12H2,1-4H3
InChIKeyNUEWPHJGEXOTQF-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62463216
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine (CID 62427810) is 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine is CCNCC(CC)N(CC)c1cccc(C)c1.
What is the InChIKey of 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The InChIKey is NUEWPHJGEXOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(12-16-6-2)17(7-3)15-10-8-9-13(4)11-15/h8-11,14,16H,5-7,12H2,1-4H3.
What are the key properties of 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 62427810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).