N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine

C17H25N — CID 143265569

IUPACN-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine
SMILESC#CCN(CC)CCc1c(C)cccc1C(C)C
InChIInChI=1S/C17H25N/c1-6-12-18(7-2)13-11-17-15(5)9-8-10-16(17)14(3)4/h1,8-10,14H,7,11-13H2,2-5H3
InChIKeyQOEGPUKSUFWRRS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.62
Rot. Bonds6

About N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine

N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine (PubChem CID 143265569) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine
PubChem CID143265569
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine
SMILESC#CCN(CC)CCc1c(C)cccc1C(C)C
InChIInChI=1S/C17H25N/c1-6-12-18(7-2)13-11-17-15(5)9-8-10-16(17)14(3)4/h1,8-10,14H,7,11-13H2,2-5H3
InChIKeyQOEGPUKSUFWRRS-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine (CID 143265569) is N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine is C#CCN(CC)CCc1c(C)cccc1C(C)C.
What is the InChIKey of N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine?
The InChIKey is QOEGPUKSUFWRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-12-18(7-2)13-11-17-15(5)9-8-10-16(17)14(3)4/h1,8-10,14H,7,11-13H2,2-5H3.
What are the key properties of N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine?
N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methyl-6-propan-2-ylphenyl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 143265569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).