1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

C18H32N2 — CID 79069534

IUPAC1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H32N2/c1-8-18(6,20(9-2)10-3)17(19-7)16-12-11-14(4)15(5)13-16/h11-13,17,19H,8-10H2,1-7H3
InChIKeyAUWBOXPCAFEUFJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.07
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine

1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 79069534) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
PubChem CID79069534
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(NC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H32N2/c1-8-18(6,20(9-2)10-3)17(19-7)16-12-11-14(4)15(5)13-16/h11-13,17,19H,8-10H2,1-7H3
InChIKeyAUWBOXPCAFEUFJ-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
CID 116544674
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
1-(3,4-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240894
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79700151
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine (CID 79069534) is 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is CCN(CC)C(C)(CC)C(NC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is AUWBOXPCAFEUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-18(6,20(9-2)10-3)17(19-7)16-12-11-14(4)15(5)13-16/h11-13,17,19H,8-10H2,1-7H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine?
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79069534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).