N'-(2-propan-2-ylphenyl)propanimidamide

C12H18N2 — CID 63174482

IUPACN'-(2-propan-2-ylphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccccc1C(C)C
InChIInChI=1S/C12H18N2/c1-4-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)
InChIKeyOQNKDGGCPQVXKZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds3

About N'-(2-propan-2-ylphenyl)propanimidamide

N'-(2-propan-2-ylphenyl)propanimidamide (PubChem CID 63174482) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(2-propan-2-ylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-propan-2-ylphenyl)propanimidamide
PubChem CID63174482
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(2-propan-2-ylphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccccc1C(C)C
InChIInChI=1S/C12H18N2/c1-4-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14)
InChIKeyOQNKDGGCPQVXKZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
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

ethyl N'-(2-propan-2-ylphenyl)carbamimidothioate
CID 10537022
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
CID 59919412
N'-(2-propylphenyl)propanimidamide
CID 63177634
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
CID 19063251
1-(3-oxopropyl)-1,2-bis(2-propan-2-ylphenyl)guanidine
CID 175119125
N'-quinolin-5-ylpropanimidamide
CID 63174316
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
2-[2-(diaminomethylideneamino)phenyl]pentanoic acid
CID 174893265

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylphenyl)propanimidamide?
The IUPAC name of N'-(2-propan-2-ylphenyl)propanimidamide (CID 63174482) is N'-(2-propan-2-ylphenyl)propanimidamide.
What is the SMILES notation for N'-(2-propan-2-ylphenyl)propanimidamide?
The canonical SMILES for N'-(2-propan-2-ylphenyl)propanimidamide is CC/C(N)=N\c1ccccc1C(C)C.
What is the InChIKey of N'-(2-propan-2-ylphenyl)propanimidamide?
The InChIKey is OQNKDGGCPQVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-12(13)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14).
What are the key properties of N'-(2-propan-2-ylphenyl)propanimidamide?
N'-(2-propan-2-ylphenyl)propanimidamide has a molecular weight of 190.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylphenyl)propanimidamide is sourced from PubChem (CID 63174482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).