1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine

C20H34N4O — CID 111965451

IUPAC1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CO)CC1)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C20H34N4O/c1-4-21-19(23-15-20(16-25)12-13-20)22-14-18(24(5-2)6-3)17-10-8-7-9-11-17/h7-11,18,25H,4-6,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyDLVXFXTZMCPLFC-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.40
Rot. Bonds10

About 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine

1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (PubChem CID 111965451) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
PubChem CID111965451
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CO)CC1)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C20H34N4O/c1-4-21-19(23-15-20(16-25)12-13-20)22-14-18(24(5-2)6-3)17-10-8-7-9-11-17/h7-11,18,25H,4-6,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyDLVXFXTZMCPLFC-UHFFFAOYSA-N
XLogP2.40
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.40
H-Bond Donors ≤ 53
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-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111834301
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111011119
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111964105
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111965544
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(1-phenylcyclopropyl)methyl]guanidine
CID 109410657
4-[[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111011280
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111510093
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine
CID 111010781
1-[2-(diethylamino)-2-phenylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111010574
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111965714
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111011215

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (CID 111965451) is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is CCN/C(=N\CC1(CO)CC1)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The InChIKey is DLVXFXTZMCPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-4-21-19(23-15-20(16-25)12-13-20)22-14-18(24(5-2)6-3)17-10-8-7-9-11-17/h7-11,18,25H,4-6,12-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine has a molecular weight of 346.52 g/mol, XLogP of 2.40, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 111965451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).