potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide

C15H26KNO — CID 166137026

IUPACpotassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide
SMILESCC.CC(C)Cc1ccccc1CNC=O.[CH3-].[K+]
InChIInChI=1S/C12H17NO.C2H6.CH3.K/c1-10(2)7-11-5-3-4-6-12(11)8-13-9-14;1-2;;/h3-6,9-10H,7-8H2,1-2H3,(H,13,14);1-2H3;1H3;/q;;-1;+1
InChIKeyXAFHFJISFBKFHJ-UHFFFAOYSA-N
MW275.48 g/mol
LogP0.61
Rot. Bonds5

About potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide

potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide (PubChem CID 166137026) has the molecular formula C15H26KNO and a molecular weight of 275.48 g/mol. Its IUPAC name is potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide.

Molecular Properties

Compound Namepotassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide
PubChem CID166137026
Molecular FormulaC15H26KNO
Molecular Weight275.48 g/mol
Exact Mass275.17
IUPAC Namepotassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide
SMILESCC.CC(C)Cc1ccccc1CNC=O.[CH3-].[K+]
InChIInChI=1S/C12H17NO.C2H6.CH3.K/c1-10(2)7-11-5-3-4-6-12(11)8-13-9-14;1-2;;/h3-6,9-10H,7-8H2,1-2H3,(H,13,14);1-2H3;1H3;/q;;-1;+1
InChIKeyXAFHFJISFBKFHJ-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
formaldehyde;N-[(2-methylphenyl)methyl]formamide
CID 143352574
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]phenyl]methyl]formamide
CID 145164338
ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
CID 144904179
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
N-benzylformamide
CID 139060556
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide?
The IUPAC name of potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide (CID 166137026) is potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide.
What is the SMILES notation for potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide?
The canonical SMILES for potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide is CC.CC(C)Cc1ccccc1CNC=O.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide?
The InChIKey is XAFHFJISFBKFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6.CH3.K/c1-10(2)7-11-5-3-4-6-12(11)8-13-9-14;1-2;;/h3-6,9-10H,7-8H2,1-2H3,(H,13,14);1-2H3;1H3;/q;;-1;+1.
What are the key properties of potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide?
potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide has a molecular weight of 275.48 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide is sourced from PubChem (CID 166137026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).