3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine

C16H27N — CID 113319299

IUPAC3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccc(C(C)(C)CCNC)cc1CC
InChIInChI=1S/C16H27N/c1-6-13-8-9-15(12-14(13)7-2)16(3,4)10-11-17-5/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyGNEIFCXEYJUZMR-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.70
Rot. Bonds6

About 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine

3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 113319299) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
PubChem CID113319299
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
SMILESCCc1ccc(C(C)(C)CCNC)cc1CC
InChIInChI=1S/C16H27N/c1-6-13-8-9-15(12-14(13)7-2)16(3,4)10-11-17-5/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyGNEIFCXEYJUZMR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine (CID 113319299) is 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine is CCc1ccc(C(C)(C)CCNC)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is GNEIFCXEYJUZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-13-8-9-15(12-14(13)7-2)16(3,4)10-11-17-5/h8-9,12,17H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine?
3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 113319299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).