ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine

C13H28N2 — CID 143672500

IUPACethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine
SMILESCC.[H]/N=C(\C)C(=C)NCC(CC)CCC
InChIInChI=1S/C11H22N2.C2H6/c1-5-7-11(6-2)8-13-10(4)9(3)12;1-2/h11-13H,4-8H2,1-3H3;1-2H3/b12-9+;
InChIKeyQIYPHJDFXHDXJF-NBYYMMLRSA-N
MW212.38 g/mol
LogP3.98
Rot. Bonds7

About ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine

ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine (PubChem CID 143672500) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine
PubChem CID143672500
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine
SMILESCC.[H]/N=C(\C)C(=C)NCC(CC)CCC
InChIInChI=1S/C11H22N2.C2H6/c1-5-7-11(6-2)8-13-10(4)9(3)12;1-2/h11-13H,4-8H2,1-3H3;1-2H3/b12-9+;
InChIKeyQIYPHJDFXHDXJF-NBYYMMLRSA-N
XLogP3.98
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbuta-1,3-dien-2-yl)-2-propylpentan-1-amine
CID 166712387
2-ethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pentan-1-amine
CID 144942152
4-ethylheptane;methane
CID 143165373
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-(2-ethylpentylamino)pentan-2-ol
CID 163393194
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
ethane;3-propylhexan-1-ol
CID 142096808
3-[[2-(ethylamino)hydrazinyl]methyl]hexane
CID 166965028

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine?
The IUPAC name of ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine (CID 143672500) is ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine.
What is the SMILES notation for ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine?
The canonical SMILES for ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine is CC.[H]/N=C(\C)C(=C)NCC(CC)CCC.
What is the InChIKey of ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine?
The InChIKey is QIYPHJDFXHDXJF-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-5-7-11(6-2)8-13-10(4)9(3)12;1-2/h11-13H,4-8H2,1-3H3;1-2H3/b12-9+;.
What are the key properties of ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine?
ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N-(3-iminobut-1-en-2-yl)pentan-1-amine is sourced from PubChem (CID 143672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).