N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide

C11H17N3 — CID 10521987

IUPACN'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(CN(C)C)c1
InChIInChI=1S/C11H17N3/c1-9(12)13-11-6-4-5-10(7-11)8-14(2)3/h4-7H,8H2,1-3H3,(H2,12,13)
InChIKeyHBGZRHPAPXQHAY-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.76
Rot. Bonds3

About N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide

N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide (PubChem CID 10521987) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide
PubChem CID10521987
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(CN(C)C)c1
InChIInChI=1S/C11H17N3/c1-9(12)13-11-6-4-5-10(7-11)8-14(2)3/h4-7H,8H2,1-3H3,(H2,12,13)
InChIKeyHBGZRHPAPXQHAY-UHFFFAOYSA-N
XLogP1.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.76
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

1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
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Benzenemethanamine, 4-amino-N,N-dimethyl-
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N-(3-methylphenyl)imidodicarbonimidic diamide
CID 29667
N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine
CID 10176386
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
N-(3-Aminomethyl-phenyl)-2-methylsulfanyl-acetamidine
CID 10761718
3-Acetimidoylamino-benzamidine
CID 10776989
2-Amino-N-(3-aminomethyl-phenyl)-acetamidine
CID 10788294
N-(3-Aminomethyl-phenyl)-acetamidine
CID 18356525
N'-[4-(aminomethyl)phenyl]ethanimidamide;dihydrochloride
CID 45261184

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide?
The IUPAC name of N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide (CID 10521987) is N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide.
What is the SMILES notation for N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide?
The canonical SMILES for N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide is C/C(N)=N\c1cccc(CN(C)C)c1.
What is the InChIKey of N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide?
The InChIKey is HBGZRHPAPXQHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(12)13-11-6-4-5-10(7-11)8-14(2)3/h4-7H,8H2,1-3H3,(H2,12,13).
What are the key properties of N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide?
N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide has a molecular weight of 191.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(dimethylamino)methyl]phenyl]ethanimidamide is sourced from PubChem (CID 10521987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).