ethanamine;N-ethylpentan-2-imine;pentan-2-one

C14H32N2O — CID 159085250

IUPACethanamine;N-ethylpentan-2-imine;pentan-2-one
SMILESCCC/C(C)=N/CC.CCCC(C)=O.CCN
InChIInChI=1S/C7H15N.C5H10O.C2H7N/c1-4-6-7(3)8-5-2;1-3-4-5(2)6;1-2-3/h4-6H2,1-3H3;3-4H2,1-2H3;2-3H2,1H3/b8-7+;;
InChIKeyKBJFVNAONGVRCC-MIIBGCIDSA-N
MW244.42 g/mol
LogP3.61
Rot. Bonds5

About ethanamine;N-ethylpentan-2-imine;pentan-2-one

ethanamine;N-ethylpentan-2-imine;pentan-2-one (PubChem CID 159085250) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is ethanamine;N-ethylpentan-2-imine;pentan-2-one.

Molecular Properties

Compound Nameethanamine;N-ethylpentan-2-imine;pentan-2-one
PubChem CID159085250
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Nameethanamine;N-ethylpentan-2-imine;pentan-2-one
SMILESCCC/C(C)=N/CC.CCCC(C)=O.CCN
InChIInChI=1S/C7H15N.C5H10O.C2H7N/c1-4-6-7(3)8-5-2;1-3-4-5(2)6;1-2-3/h4-6H2,1-3H3;3-4H2,1-2H3;2-3H2,1H3/b8-7+;;
InChIKeyKBJFVNAONGVRCC-MIIBGCIDSA-N
XLogP3.61
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(2-Aminoethyl)imino]pentan-2-one
CID 15433381
3-(2-Aminoethylimino)butan-2-one
CID 91261761
4-(3-Aminopropylimino)pentan-2-one
CID 91484277
Methanamine;2-methyliminopentan-3-one
CID 20230031
4-[2-(Methylamino)ethylimino]pentan-2-one
CID 118002001
4-Amino-3-methyliminopentan-2-one
CID 123465200
3-Imino-4-methyliminopentan-2-one
CID 141881696
3-Amino-4-iminopentan-2-one;ethane;methanamine
CID 143689652
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
5-Amino-5-(propan-2-ylideneamino)pentan-2-one
CID 155108675
2-aminopentan-3-one;N-methylpentan-3-imine
CID 159010839
2-N,3-N-dimethylbutane-2,3-diimine;ethane;methanamine;N-methylbutan-2-imine;3-methyliminobutan-2-one
CID 159316537

Frequently Asked Questions

What is the IUPAC name of ethanamine;N-ethylpentan-2-imine;pentan-2-one?
The IUPAC name of ethanamine;N-ethylpentan-2-imine;pentan-2-one (CID 159085250) is ethanamine;N-ethylpentan-2-imine;pentan-2-one.
What is the SMILES notation for ethanamine;N-ethylpentan-2-imine;pentan-2-one?
The canonical SMILES for ethanamine;N-ethylpentan-2-imine;pentan-2-one is CCC/C(C)=N/CC.CCCC(C)=O.CCN.
What is the InChIKey of ethanamine;N-ethylpentan-2-imine;pentan-2-one?
The InChIKey is KBJFVNAONGVRCC-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H15N.C5H10O.C2H7N/c1-4-6-7(3)8-5-2;1-3-4-5(2)6;1-2-3/h4-6H2,1-3H3;3-4H2,1-2H3;2-3H2,1H3/b8-7+;;.
What are the key properties of ethanamine;N-ethylpentan-2-imine;pentan-2-one?
ethanamine;N-ethylpentan-2-imine;pentan-2-one has a molecular weight of 244.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N-ethylpentan-2-imine;pentan-2-one is sourced from PubChem (CID 159085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).