1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide

C13H26IN3O — CID 119162853

IUPAC1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(C)CC1)NCC1CCOC1.I
InChIInChI=1S/C13H25N3O.HI/c1-3-14-12(16-10-13(2)5-6-13)15-8-11-4-7-17-9-11;/h11H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyCVCHKOLXPPIVCD-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.00
Rot. Bonds5

About 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide

1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 119162853) has the molecular formula C13H26IN3O and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
PubChem CID119162853
Molecular FormulaC13H26IN3O
Molecular Weight367.28 g/mol
Exact Mass367.11
IUPAC Name1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(C)CC1)NCC1CCOC1.I
InChIInChI=1S/C13H25N3O.HI/c1-3-14-12(16-10-13(2)5-6-13)15-8-11-4-7-17-9-11;/h11H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyCVCHKOLXPPIVCD-UHFFFAOYSA-N
XLogP2.00
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine
CID 119162854
1-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119157802
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
1-(cyclopropylmethyl)-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111998574
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 119155673
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761958
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-ethyl-3-(oxolan-3-ylmethyl)guanidine
CID 119151001
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
1-(cyclopropylmethyl)-3-ethyl-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111869800
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033408
1-(cyclopropylmethyl)-3-ethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111867643

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 119162853) is 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC1(C)CC1)NCC1CCOC1.I.
What is the InChIKey of 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is CVCHKOLXPPIVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.HI/c1-3-14-12(16-10-13(2)5-6-13)15-8-11-4-7-17-9-11;/h11H,3-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide?
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 367.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119162853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).