N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide

C12H20N2 — CID 102040605

IUPACN,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)C1C=CC=C1
InChIInChI=1S/C12H20N2/c1-9(2)13-12(14-10(3)4)11-7-5-6-8-11/h5-11H,1-4H3,(H,13,14)
InChIKeyOKPCIDDZOIYPBX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.53
Rot. Bonds3

About N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide

N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide (PubChem CID 102040605) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide
PubChem CID102040605
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)C1C=CC=C1
InChIInChI=1S/C12H20N2/c1-9(2)13-12(14-10(3)4)11-7-5-6-8-11/h5-11H,1-4H3,(H,13,14)
InChIKeyOKPCIDDZOIYPBX-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 58755520
2-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89220153
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-tert-butyl-3a,7a-dihydro-1H-benzimidazole
CID 118391892
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
CID 123274400
2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
CID 123557804
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide?
The IUPAC name of N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide (CID 102040605) is N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide?
The canonical SMILES for N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide is CC(C)/N=C(/NC(C)C)C1C=CC=C1.
What is the InChIKey of N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide?
The InChIKey is OKPCIDDZOIYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)13-12(14-10(3)4)11-7-5-6-8-11/h5-11H,1-4H3,(H,13,14).
What are the key properties of N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide?
N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide has a molecular weight of 192.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide is sourced from PubChem (CID 102040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).