N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine

C16H25N — CID 79599217

IUPACN,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
SMILESCNCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25N/c1-12(7-6-8-17-5)11-16-14(3)9-13(2)10-15(16)4/h7,9-10,17H,6,8,11H2,1-5H3
InChIKeyVWAWAZFWESONDU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds5

About N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine

N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine (PubChem CID 79599217) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
PubChem CID79599217
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
SMILESCNCCC=C(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25N/c1-12(7-6-8-17-5)11-16-14(3)9-13(2)10-15(16)4/h7,9-10,17H,6,8,11H2,1-5H3
InChIKeyVWAWAZFWESONDU-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The IUPAC name of N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine (CID 79599217) is N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The canonical SMILES for N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine is CNCCC=C(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
The InChIKey is VWAWAZFWESONDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(7-6-8-17-5)11-16-14(3)9-13(2)10-15(16)4/h7,9-10,17H,6,8,11H2,1-5H3.
What are the key properties of N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine?
N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79599217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).