5,7-dimethyl-1-(3-methylphenyl)octan-3-amine

C17H29N — CID 114201728

IUPAC5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
SMILESCc1cccc(CCC(N)CC(C)CC(C)C)c1
InChIInChI=1S/C17H29N/c1-13(2)10-15(4)12-17(18)9-8-16-7-5-6-14(3)11-16/h5-7,11,13,15,17H,8-10,12,18H2,1-4H3
InChIKeyUWGJVVBZEBGJRW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.33
Rot. Bonds7

About 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine

5,7-dimethyl-1-(3-methylphenyl)octan-3-amine (PubChem CID 114201728) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine.

Molecular Properties

Compound Name5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
PubChem CID114201728
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
SMILESCc1cccc(CCC(N)CC(C)CC(C)C)c1
InChIInChI=1S/C17H29N/c1-13(2)10-15(4)12-17(18)9-8-16-7-5-6-14(3)11-16/h5-7,11,13,15,17H,8-10,12,18H2,1-4H3
InChIKeyUWGJVVBZEBGJRW-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine?
The IUPAC name of 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine (CID 114201728) is 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine.
What is the SMILES notation for 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine?
The canonical SMILES for 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine is Cc1cccc(CCC(N)CC(C)CC(C)C)c1.
What is the InChIKey of 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine?
The InChIKey is UWGJVVBZEBGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)10-15(4)12-17(18)9-8-16-7-5-6-14(3)11-16/h5-7,11,13,15,17H,8-10,12,18H2,1-4H3.
What are the key properties of 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine?
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(3-methylphenyl)octan-3-amine is sourced from PubChem (CID 114201728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).