N-butylethanimine;ethane

C10H25N — CID 142024896

IUPACN-butylethanimine;ethane
SMILESC/C=N/CCCC.CC.CC
InChIInChI=1S/C6H13N.2C2H6/c1-3-5-6-7-4-2;2*1-2/h4H,3,5-6H2,1-2H3;2*1-2H3/b7-4+;;
InChIKeyOKCFXYKWLJJKNB-RDRKJGRWSA-N
MW159.32 g/mol
LogP3.93
Rot. Bonds3

About N-butylethanimine;ethane

N-butylethanimine;ethane (PubChem CID 142024896) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is N-butylethanimine;ethane.

Molecular Properties

Compound NameN-butylethanimine;ethane
PubChem CID142024896
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC NameN-butylethanimine;ethane
SMILESC/C=N/CCCC.CC.CC
InChIInChI=1S/C6H13N.2C2H6/c1-3-5-6-7-4-2;2*1-2/h4H,3,5-6H2,1-2H3;2*1-2H3/b7-4+;;
InChIKeyOKCFXYKWLJJKNB-RDRKJGRWSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;N-hexylethanimine;hydride
CID 174719664
acetaldehyde;butan-1-amine;N-butylethanimine;N-ethylbutan-1-amine
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CID 5494236
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(E)-N-octylbut-2-en-1-imine
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butyliminomethanesulfinic acid
CID 91559800
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
ethane;1-nitrosobutane;pentane
CID 144748325
N-tetradecyltridecan-1-imine
CID 175147598
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-hexyldecan-1-imine
CID 174719675

Frequently Asked Questions

What is the IUPAC name of N-butylethanimine;ethane?
The IUPAC name of N-butylethanimine;ethane (CID 142024896) is N-butylethanimine;ethane.
What is the SMILES notation for N-butylethanimine;ethane?
The canonical SMILES for N-butylethanimine;ethane is C/C=N/CCCC.CC.CC.
What is the InChIKey of N-butylethanimine;ethane?
The InChIKey is OKCFXYKWLJJKNB-RDRKJGRWSA-N. The full InChI is InChI=1S/C6H13N.2C2H6/c1-3-5-6-7-4-2;2*1-2/h4H,3,5-6H2,1-2H3;2*1-2H3/b7-4+;;.
What are the key properties of N-butylethanimine;ethane?
N-butylethanimine;ethane has a molecular weight of 159.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylethanimine;ethane is sourced from PubChem (CID 142024896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).