2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine

C17H29N — CID 55194499

IUPAC2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-7-16(12-18-13(2)3)11-17-9-14(4)8-15(5)10-17/h8-10,13,16,18H,6-7,11-12H2,1-5H3
InChIKeyFCPIASCOAAHZCS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.26
Rot. Bonds7

About 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine

2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 55194499) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID55194499
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-7-16(12-18-13(2)3)11-17-9-14(4)8-15(5)10-17/h8-10,13,16,18H,6-7,11-12H2,1-5H3
InChIKeyFCPIASCOAAHZCS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 55194499) is 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is FCPIASCOAAHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-7-16(12-18-13(2)3)11-17-9-14(4)8-15(5)10-17/h8-10,13,16,18H,6-7,11-12H2,1-5H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 55194499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).