1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine

C18H30N4O — CID 110029656

IUPAC1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
SMILESCCN(CC)C(C/N=C(\N)N(C)C1CC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O/c1-5-22(6-2)17(14-8-7-9-16(12-14)23-4)13-20-18(19)21(3)15-10-11-15/h7-9,12,15,17H,5-6,10-11,13H2,1-4H3,(H2,19,20)
InChIKeyAQPPSCPOUABWMN-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.49
Rot. Bonds8

About 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine

1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine (PubChem CID 110029656) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
PubChem CID110029656
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
SMILESCCN(CC)C(C/N=C(\N)N(C)C1CC1)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O/c1-5-22(6-2)17(14-8-7-9-16(12-14)23-4)13-20-18(19)21(3)15-10-11-15/h7-9,12,15,17H,5-6,10-11,13H2,1-4H3,(H2,19,20)
InChIKeyAQPPSCPOUABWMN-UHFFFAOYSA-N
XLogP2.49
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.49
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

1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111037534
1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-1-methylguanidine
CID 129398569
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine (CID 110029656) is 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine is CCN(CC)C(C/N=C(\N)N(C)C1CC1)c1cccc(OC)c1.
What is the InChIKey of 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine?
The InChIKey is AQPPSCPOUABWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-22(6-2)17(14-8-7-9-16(12-14)23-4)13-20-18(19)21(3)15-10-11-15/h7-9,12,15,17H,5-6,10-11,13H2,1-4H3,(H2,19,20).
What are the key properties of 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine?
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine has a molecular weight of 318.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110029656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).