methane;N-methylmethanimine;propan-2-one;prop-1-ene

C11H29NO — CID 159454527

IUPACmethane;N-methylmethanimine;propan-2-one;prop-1-ene
SMILESC.C.C.C=CC.C=NC.CC(C)=O
InChIInChI=1S/C3H6O.C3H6.C2H5N.3CH4/c1-3(2)4;2*1-3-2;;;/h1-2H3;3H,1H2,2H3;1H2,2H3;3*1H4
InChIKeyLTULDUCHYNWISJ-UHFFFAOYSA-N
MW191.36 g/mol
LogP4.01
Rot. Bonds

About methane;N-methylmethanimine;propan-2-one;prop-1-ene

methane;N-methylmethanimine;propan-2-one;prop-1-ene (PubChem CID 159454527) has the molecular formula C11H29NO and a molecular weight of 191.36 g/mol. Its IUPAC name is methane;N-methylmethanimine;propan-2-one;prop-1-ene.

Molecular Properties

Compound Namemethane;N-methylmethanimine;propan-2-one;prop-1-ene
PubChem CID159454527
Molecular FormulaC11H29NO
Molecular Weight191.36 g/mol
Exact Mass191.22
IUPAC Namemethane;N-methylmethanimine;propan-2-one;prop-1-ene
SMILESC.C.C.C=CC.C=NC.CC(C)=O
InChIInChI=1S/C3H6O.C3H6.C2H5N.3CH4/c1-3(2)4;2*1-3-2;;;/h1-2H3;3H,1H2,2H3;1H2,2H3;3*1H4
InChIKeyLTULDUCHYNWISJ-UHFFFAOYSA-N
XLogP4.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 157292140
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ethanethioic S-acid;prop-1-ene
CID 174856563
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CID 159068439
diazanium;prop-1-ene;diacetate
CID 159968490
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CID 162280666
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;phosphane;prop-1-ene
CID 174648548
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817

Frequently Asked Questions

What is the IUPAC name of methane;N-methylmethanimine;propan-2-one;prop-1-ene?
The IUPAC name of methane;N-methylmethanimine;propan-2-one;prop-1-ene (CID 159454527) is methane;N-methylmethanimine;propan-2-one;prop-1-ene.
What is the SMILES notation for methane;N-methylmethanimine;propan-2-one;prop-1-ene?
The canonical SMILES for methane;N-methylmethanimine;propan-2-one;prop-1-ene is C.C.C.C=CC.C=NC.CC(C)=O.
What is the InChIKey of methane;N-methylmethanimine;propan-2-one;prop-1-ene?
The InChIKey is LTULDUCHYNWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H6.C2H5N.3CH4/c1-3(2)4;2*1-3-2;;;/h1-2H3;3H,1H2,2H3;1H2,2H3;3*1H4.
What are the key properties of methane;N-methylmethanimine;propan-2-one;prop-1-ene?
methane;N-methylmethanimine;propan-2-one;prop-1-ene has a molecular weight of 191.36 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methylmethanimine;propan-2-one;prop-1-ene is sourced from PubChem (CID 159454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).