N,N'-di(propan-2-yl)imidazole-1-carboximidamide

C10H18N4 — CID 139093613

IUPACN,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)n1ccnc1
InChIInChI=1S/C10H18N4/c1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h5-9H,1-4H3,(H,12,13)
InChIKeyWUOLNKRCVBYHHZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds2

About N,N'-di(propan-2-yl)imidazole-1-carboximidamide

N,N'-di(propan-2-yl)imidazole-1-carboximidamide (PubChem CID 139093613) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)imidazole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)imidazole-1-carboximidamide
PubChem CID139093613
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)n1ccnc1
InChIInChI=1S/C10H18N4/c1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h5-9H,1-4H3,(H,12,13)
InChIKeyWUOLNKRCVBYHHZ-UHFFFAOYSA-N
XLogP1.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
CID 88748178
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
imidazole-1-carboxamide;propan-2-ol
CID 121360857
imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione
CID 135214447
N-ethoxyimidazole-1-carboxamide
CID 71385822
3-(imidazole-1-carbonylamino)-2-methylidenebutanoic acid
CID 175030906
N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
CID 54965407
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424
(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
CID 13491023

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The IUPAC name of N,N'-di(propan-2-yl)imidazole-1-carboximidamide (CID 139093613) is N,N'-di(propan-2-yl)imidazole-1-carboximidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The canonical SMILES for N,N'-di(propan-2-yl)imidazole-1-carboximidamide is CC(C)/N=C(/NC(C)C)n1ccnc1.
What is the InChIKey of N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The InChIKey is WUOLNKRCVBYHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)12-10(13-9(3)4)14-6-5-11-7-14/h5-9H,1-4H3,(H,12,13).
What are the key properties of N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
N,N'-di(propan-2-yl)imidazole-1-carboximidamide has a molecular weight of 194.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)imidazole-1-carboximidamide is sourced from PubChem (CID 139093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).