N,N-di(propan-2-yl)prop-2-ynamide

C9H15NO — CID 565874

IUPACN,N-di(propan-2-yl)prop-2-ynamide
SMILESC#CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H15NO/c1-6-9(11)10(7(2)3)8(4)5/h1,7-8H,2-5H3
InChIKeyJRSITRVQWNTCCY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds2

About N,N-di(propan-2-yl)prop-2-ynamide

N,N-di(propan-2-yl)prop-2-ynamide (PubChem CID 565874) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N,N-di(propan-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)prop-2-ynamide
PubChem CID565874
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN,N-di(propan-2-yl)prop-2-ynamide
SMILESC#CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H15NO/c1-6-9(11)10(7(2)3)8(4)5/h1,7-8H,2-5H3
InChIKeyJRSITRVQWNTCCY-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.26
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,N-di(propan-2-yl)prop-2-ynamide?
The IUPAC name of N,N-di(propan-2-yl)prop-2-ynamide (CID 565874) is N,N-di(propan-2-yl)prop-2-ynamide.
What is the SMILES notation for N,N-di(propan-2-yl)prop-2-ynamide?
The canonical SMILES for N,N-di(propan-2-yl)prop-2-ynamide is C#CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)prop-2-ynamide?
The InChIKey is JRSITRVQWNTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-9(11)10(7(2)3)8(4)5/h1,7-8H,2-5H3.
What are the key properties of N,N-di(propan-2-yl)prop-2-ynamide?
N,N-di(propan-2-yl)prop-2-ynamide has a molecular weight of 153.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)prop-2-ynamide is sourced from PubChem (CID 565874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).