1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide

C14H29IN4O — CID 119150767

IUPAC1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NC1CCN(CCOC)C1)NC1CC1(C)C.I
InChIInChI=1S/C14H28N4O.HI/c1-14(2)9-12(14)17-13(15-3)16-11-5-6-18(10-11)7-8-19-4;/h11-12H,5-10H2,1-4H3,(H2,15,16,17);1H
InChIKeyBYZHBHZNJZHHSP-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.29
Rot. Bonds5

About 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide

1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide (PubChem CID 119150767) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
PubChem CID119150767
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NC1CCN(CCOC)C1)NC1CC1(C)C.I
InChIInChI=1S/C14H28N4O.HI/c1-14(2)9-12(14)17-13(15-3)16-11-5-6-18(10-11)7-8-19-4;/h11-12H,5-10H2,1-4H3,(H2,15,16,17);1H
InChIKeyBYZHBHZNJZHHSP-UHFFFAOYSA-N
XLogP1.29
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119150765
1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119162137
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine
CID 47091818
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879160
3-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]butanamide
CID 119879163
1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
CID 119150158
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 127336878
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110957529
1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 110055087
1-tert-butyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111547184
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111318150
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide (CID 119150767) is 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide is C/N=C(/NC1CCN(CCOC)C1)NC1CC1(C)C.I.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide?
The InChIKey is BYZHBHZNJZHHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-14(2)9-12(14)17-13(15-3)16-11-5-6-18(10-11)7-8-19-4;/h11-12H,5-10H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide?
1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119150767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).