1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine

C16H27N — CID 115800285

IUPAC1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)C(C)C(C)C
InChIInChI=1S/C16H27N/c1-11(2)14(5)16(17-6)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-17H,10H2,1-6H3
InChIKeyCCPKWLVCZARMFY-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.73
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine

1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine (PubChem CID 115800285) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
PubChem CID115800285
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)C(C)C(C)C
InChIInChI=1S/C16H27N/c1-11(2)14(5)16(17-6)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-17H,10H2,1-6H3
InChIKeyCCPKWLVCZARMFY-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine (CID 115800285) is 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine is CNC(Cc1cc(C)cc(C)c1)C(C)C(C)C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine?
The InChIKey is CCPKWLVCZARMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)14(5)16(17-6)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16-17H,10H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine?
1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine is sourced from PubChem (CID 115800285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).