1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine

C18H30N4O2 — CID 95573127

IUPAC1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\C[C@@H](c1cccc(OC)c1)N(C)C)NC1CC1
InChIInChI=1S/C18H30N4O2/c1-22(2)17(14-6-5-7-16(12-14)24-4)13-20-18(19-10-11-23-3)21-15-8-9-15/h5-7,12,15,17H,8-11,13H2,1-4H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyVBSFRQWWOZNNRF-KRWDZBQOSA-N
MW334.46 g/mol
LogP1.64
Rot. Bonds9

About 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine

1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine (PubChem CID 95573127) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine
PubChem CID95573127
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine
SMILESCOCCN/C(=N\C[C@@H](c1cccc(OC)c1)N(C)C)NC1CC1
InChIInChI=1S/C18H30N4O2/c1-22(2)17(14-6-5-7-16(12-14)24-4)13-20-18(19-10-11-23-3)21-15-8-9-15/h5-7,12,15,17H,8-11,13H2,1-4H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyVBSFRQWWOZNNRF-KRWDZBQOSA-N
XLogP1.64
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 110991683
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318236
1-[3-(cyclopropylmethoxy)propyl]-2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethylguanidine
CID 111392401
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942362
1-cyclopentyl-3-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111759520
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137005
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189618
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350626
1-cyclopentyl-3-ethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 110991711

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine (CID 95573127) is 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine is COCCN/C(=N\C[C@@H](c1cccc(OC)c1)N(C)C)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is VBSFRQWWOZNNRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-22(2)17(14-6-5-7-16(12-14)24-4)13-20-18(19-10-11-23-3)21-15-8-9-15/h5-7,12,15,17H,8-11,13H2,1-4H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine?
1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 334.46 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 95573127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).