4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide

C12H18N2O — CID 15258622

IUPAC4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-14-12(13)10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14)
InChIKeyKNTYTIALEKDKFT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.06
Rot. Bonds4

About 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide

4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide (PubChem CID 15258622) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
PubChem CID15258622
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/CC(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)8-14-12(13)10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14)
InChIKeyKNTYTIALEKDKFT-UHFFFAOYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-(2-methylpropyl)-4-[4-[4-[N'-(2-methylpropyl)carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 10624891
3-amino-1-(4-methoxyphenyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 116514243
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
N'-(3-methylbutyl)-4-[5-[4-[N'-(3-methylbutyl)carbamimidoyl]phenoxy]pentoxy]benzenecarboximidamide;hydrochloride
CID 44531498
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide?
The IUPAC name of 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide (CID 15258622) is 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide is COc1ccc(/C(N)=N/CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide?
The InChIKey is KNTYTIALEKDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)8-14-12(13)10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,13,14).
What are the key properties of 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide?
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide has a molecular weight of 206.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide is sourced from PubChem (CID 15258622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).