2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine

C17H29N — CID 63522164

IUPAC2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCCCNCC(C)(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-7-8-18-12-17(5,6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeySOQCBUMJMMTTRI-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.18
Rot. Bonds6

About 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine

2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 63522164) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID63522164
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCCCNCC(C)(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-7-8-18-12-17(5,6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3
InChIKeySOQCBUMJMMTTRI-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine (CID 63522164) is 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine is CCCNCC(C)(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is SOQCBUMJMMTTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-8-18-12-17(5,6)11-16-14(3)9-13(2)10-15(16)4/h9-10,18H,7-8,11-12H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 63522164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).