5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine

C17H29N — CID 113319296

IUPAC5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNC)cc1CC
InChIInChI=1S/C17H29N/c1-5-16-10-9-15(13-17(16)6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyGZBLISHJKOPUGS-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.99
Rot. Bonds8

About 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine

5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 113319296) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
PubChem CID113319296
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNC)cc1CC
InChIInChI=1S/C17H29N/c1-5-16-10-9-15(13-17(16)6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyGZBLISHJKOPUGS-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine (CID 113319296) is 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine is CCc1ccc(CCC(C)CCNC)cc1CC.
What is the InChIKey of 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is GZBLISHJKOPUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-16-10-9-15(13-17(16)6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3.
What are the key properties of 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine?
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 113319296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).