propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine

C12H25NO — CID 143490274

IUPACpropan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine
SMILESC=C(C)N(CCC)CCC.CC(C)=O
InChIInChI=1S/C9H19N.C3H6O/c1-5-7-10(8-6-2)9(3)4;1-3(2)4/h3,5-8H2,1-2,4H3;1-2H3
InChIKeyABRLSSZOQKRPNL-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.24
Rot. Bonds5

About propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine

propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine (PubChem CID 143490274) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Namepropan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine
PubChem CID143490274
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namepropan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine
SMILESC=C(C)N(CCC)CCC.CC(C)=O
InChIInChI=1S/C9H19N.C3H6O/c1-5-7-10(8-6-2)9(3)4;1-3(2)4/h3,5-8H2,1-2,4H3;1-2H3
InChIKeyABRLSSZOQKRPNL-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine?
The IUPAC name of propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine (CID 143490274) is propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine?
The canonical SMILES for propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine is C=C(C)N(CCC)CCC.CC(C)=O.
What is the InChIKey of propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine?
The InChIKey is ABRLSSZOQKRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C3H6O/c1-5-7-10(8-6-2)9(3)4;1-3(2)4/h3,5-8H2,1-2,4H3;1-2H3.
What are the key properties of propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine?
propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;N-prop-1-en-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 143490274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).