N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide

C15H23N3O — CID 63173772

IUPACN'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
SMILESCOc1cccc(C(C/N=C(\N)C2CC2)N(C)C)c1
InChIInChI=1S/C15H23N3O/c1-18(2)14(10-17-15(16)11-7-8-11)12-5-4-6-13(9-12)19-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H2,16,17)
InChIKeyJKEMEWZLEGPHKX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds6

About N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide

N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide (PubChem CID 63173772) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
PubChem CID63173772
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
SMILESCOc1cccc(C(C/N=C(\N)C2CC2)N(C)C)c1
InChIInChI=1S/C15H23N3O/c1-18(2)14(10-17-15(16)11-7-8-11)12-5-4-6-13(9-12)19-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H2,16,17)
InChIKeyJKEMEWZLEGPHKX-UHFFFAOYSA-N
XLogP2.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
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

2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
1-cyclopentyl-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 110991683
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
CID 110029656
1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine
CID 95573127
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 62364596
2-isocyanato-1-(3-methoxyphenyl)-N,N-dimethylethanamine
CID 63109938
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-[3-(cyclopropylmethoxy)propyl]-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 111392401
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137005

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide (CID 63173772) is N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide is COc1cccc(C(C/N=C(\N)C2CC2)N(C)C)c1.
What is the InChIKey of N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide?
The InChIKey is JKEMEWZLEGPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)14(10-17-15(16)11-7-8-11)12-5-4-6-13(9-12)19-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H2,16,17).
What are the key properties of N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide?
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63173772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).