methane;N-propan-2-ylethanimine

C6H15N — CID 159100723

IUPACmethane;N-propan-2-ylethanimine
SMILESC.C/C=N/C(C)C
InChIInChI=1S/C5H11N.CH4/c1-4-6-5(2)3;/h4-5H,1-3H3;1H4/b6-4+;
InChIKeyKDFXNPSDTQCKHC-CVDVRWGVSA-N
MW101.19 g/mol
LogP2.12
Rot. Bonds1

About methane;N-propan-2-ylethanimine

methane;N-propan-2-ylethanimine (PubChem CID 159100723) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is methane;N-propan-2-ylethanimine.

Molecular Properties

Compound Namemethane;N-propan-2-ylethanimine
PubChem CID159100723
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namemethane;N-propan-2-ylethanimine
SMILESC.C/C=N/C(C)C
InChIInChI=1S/C5H11N.CH4/c1-4-6-5(2)3;/h4-5H,1-3H3;1H4/b6-4+;
InChIKeyKDFXNPSDTQCKHC-CVDVRWGVSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);nickel
CID 174052217
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
CID 159257607
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561
N-[(2R)-2-(ethylideneamino)propyl]ethanimine
CID 143163215
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
CID 159955538
2-propan-2-yliminoethanamine
CID 163684613
3-(ethylideneamino)hexan-2-amine
CID 146742852
3-methyl-N-(3-methylbutylideneamino)butan-1-imine
CID 73166085
2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
CID 91470726
(E)-N-propan-2-yl-3-trimethylsilylprop-2-en-1-imine
CID 13378778
(E)-2,6-dimethylhept-3-ene
CID 5364654

Frequently Asked Questions

What is the IUPAC name of methane;N-propan-2-ylethanimine?
The IUPAC name of methane;N-propan-2-ylethanimine (CID 159100723) is methane;N-propan-2-ylethanimine.
What is the SMILES notation for methane;N-propan-2-ylethanimine?
The canonical SMILES for methane;N-propan-2-ylethanimine is C.C/C=N/C(C)C.
What is the InChIKey of methane;N-propan-2-ylethanimine?
The InChIKey is KDFXNPSDTQCKHC-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H11N.CH4/c1-4-6-5(2)3;/h4-5H,1-3H3;1H4/b6-4+;.
What are the key properties of methane;N-propan-2-ylethanimine?
methane;N-propan-2-ylethanimine has a molecular weight of 101.19 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propan-2-ylethanimine is sourced from PubChem (CID 159100723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).