N-ethyl-N-prop-2-ynylprop-2-yn-1-amine

C8H11N — CID 571471

IUPACN-ethyl-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC)CC#C
InChIInChI=1S/C8H11N/c1-4-7-9(6-3)8-5-2/h1-2H,6-8H2,3H3
InChIKeyRTIINCDOGUBJOP-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.57
Rot. Bonds3

About N-ethyl-N-prop-2-ynylprop-2-yn-1-amine

N-ethyl-N-prop-2-ynylprop-2-yn-1-amine (PubChem CID 571471) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylprop-2-yn-1-amine
PubChem CID571471
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-ethyl-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC)CC#C
InChIInChI=1S/C8H11N/c1-4-7-9(6-3)8-5-2/h1-2H,6-8H2,3H3
InChIKeyRTIINCDOGUBJOP-UHFFFAOYSA-N
XLogP0.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.57
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-prop-2-ynylprop-2-yn-1-amine?
The IUPAC name of N-ethyl-N-prop-2-ynylprop-2-yn-1-amine (CID 571471) is N-ethyl-N-prop-2-ynylprop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-N-prop-2-ynylprop-2-yn-1-amine?
The canonical SMILES for N-ethyl-N-prop-2-ynylprop-2-yn-1-amine is C#CCN(CC)CC#C.
What is the InChIKey of N-ethyl-N-prop-2-ynylprop-2-yn-1-amine?
The InChIKey is RTIINCDOGUBJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-4-7-9(6-3)8-5-2/h1-2H,6-8H2,3H3.
What are the key properties of N-ethyl-N-prop-2-ynylprop-2-yn-1-amine?
N-ethyl-N-prop-2-ynylprop-2-yn-1-amine has a molecular weight of 121.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylprop-2-yn-1-amine is sourced from PubChem (CID 571471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).