butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene

C17H41N3O — CID 143504837

IUPACbutan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene
SMILESC=CC.CCC.CCC(C)=O.CN1CCN(C)C1.CNC
InChIInChI=1S/C5H12N2.C4H8O.C3H8.C3H6.C2H7N/c1-6-3-4-7(2)5-6;1-3-4(2)5;3*1-3-2/h3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;3H,1-2H3
InChIKeyVSFJICQFDLCDEF-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.25
Rot. Bonds1

About butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene

butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene (PubChem CID 143504837) has the molecular formula C17H41N3O and a molecular weight of 303.54 g/mol. Its IUPAC name is butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene.

Molecular Properties

Compound Namebutan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene
PubChem CID143504837
Molecular FormulaC17H41N3O
Molecular Weight303.54 g/mol
Exact Mass303.32
IUPAC Namebutan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene
SMILESC=CC.CCC.CCC(C)=O.CN1CCN(C)C1.CNC
InChIInChI=1S/C5H12N2.C4H8O.C3H8.C3H6.C2H7N/c1-6-3-4-7(2)5-6;1-3-4(2)5;3*1-3-2/h3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;3H,1-2H3
InChIKeyVSFJICQFDLCDEF-UHFFFAOYSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propane;propan-2-one;prop-1-ene
CID 160807834
butan-2-one;ethane;propane
CID 169173049
acetic acid;1-ethyl-3-methylimidazolidine
CID 162317080
butan-2-one;ethane
CID 158905935
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
butan-2-one;cyclohexane;propane
CID 90815721
butan-2-one;methanol;hydrate
CID 18949731
methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene
CID 176684153
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
butan-2-one;ethane;methanamine
CID 172563476
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate
CID 157292140
bis(butan-2-one);methane
CID 160665705

Frequently Asked Questions

What is the IUPAC name of butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene?
The IUPAC name of butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene (CID 143504837) is butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene.
What is the SMILES notation for butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene?
The canonical SMILES for butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene is C=CC.CCC.CCC(C)=O.CN1CCN(C)C1.CNC.
What is the InChIKey of butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene?
The InChIKey is VSFJICQFDLCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C4H8O.C3H8.C3H6.C2H7N/c1-6-3-4-7(2)5-6;1-3-4(2)5;3*1-3-2/h3-5H2,1-2H3;3H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;3H,1-2H3.
What are the key properties of butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene?
butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene has a molecular weight of 303.54 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;1,3-dimethylimidazolidine;N-methylmethanamine;propane;prop-1-ene is sourced from PubChem (CID 143504837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).