N'-butylethanimidamide;ethanol;hexane;propan-2-ol

C17H42N2O2 — CID 159292943

IUPACN'-butylethanimidamide;ethanol;hexane;propan-2-ol
SMILESCC(C)O.CCCC/N=C(\C)N.CCCCCC.CCO
InChIInChI=1S/C6H14N2.C6H14.C3H8O.C2H6O/c1-3-4-5-8-6(2)7;1-3-5-6-4-2;1-3(2)4;1-2-3/h3-5H2,1-2H3,(H2,7,8);3-6H2,1-2H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyLAIVTSDRIFFXMX-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.14
Rot. Bonds6

About N'-butylethanimidamide;ethanol;hexane;propan-2-ol

N'-butylethanimidamide;ethanol;hexane;propan-2-ol (PubChem CID 159292943) has the molecular formula C17H42N2O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N'-butylethanimidamide;ethanol;hexane;propan-2-ol.

Molecular Properties

Compound NameN'-butylethanimidamide;ethanol;hexane;propan-2-ol
PubChem CID159292943
Molecular FormulaC17H42N2O2
Molecular Weight306.54 g/mol
Exact Mass306.32
IUPAC NameN'-butylethanimidamide;ethanol;hexane;propan-2-ol
SMILESCC(C)O.CCCC/N=C(\C)N.CCCCCC.CCO
InChIInChI=1S/C6H14N2.C6H14.C3H8O.C2H6O/c1-3-4-5-8-6(2)7;1-3-5-6-4-2;1-3(2)4;1-2-3/h3-5H2,1-2H3,(H2,7,8);3-6H2,1-2H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyLAIVTSDRIFFXMX-UHFFFAOYSA-N
XLogP4.14
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N'-propylethanimidamide
CID 156797871
octane;propan-2-ol
CID 160746796
ethanol;heptane;propan-2-amine
CID 87057720
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
methyl 5-amino-6-(1-aminoethylideneamino)-N-butylhexanimidate
CID 57203119
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
2-nonyl-1-propan-2-ylguanidine
CID 111034727
N'-pentylpropanimidamide
CID 62047571
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
CID 20638021
N'-butylethanimidamide;5-ethyl-1H-imidazole
CID 157251840
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286

Frequently Asked Questions

What is the IUPAC name of N'-butylethanimidamide;ethanol;hexane;propan-2-ol?
The IUPAC name of N'-butylethanimidamide;ethanol;hexane;propan-2-ol (CID 159292943) is N'-butylethanimidamide;ethanol;hexane;propan-2-ol.
What is the SMILES notation for N'-butylethanimidamide;ethanol;hexane;propan-2-ol?
The canonical SMILES for N'-butylethanimidamide;ethanol;hexane;propan-2-ol is CC(C)O.CCCC/N=C(\C)N.CCCCCC.CCO.
What is the InChIKey of N'-butylethanimidamide;ethanol;hexane;propan-2-ol?
The InChIKey is LAIVTSDRIFFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H14.C3H8O.C2H6O/c1-3-4-5-8-6(2)7;1-3-5-6-4-2;1-3(2)4;1-2-3/h3-5H2,1-2H3,(H2,7,8);3-6H2,1-2H3;3-4H,1-2H3;3H,2H2,1H3.
What are the key properties of N'-butylethanimidamide;ethanol;hexane;propan-2-ol?
N'-butylethanimidamide;ethanol;hexane;propan-2-ol has a molecular weight of 306.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylethanimidamide;ethanol;hexane;propan-2-ol is sourced from PubChem (CID 159292943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).