1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine

C14H27N3O — CID 119151483

IUPAC1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOCC1)NC1CC1(C)C
InChIInChI=1S/C14H27N3O/c1-4-15-13(17-12-9-14(12,2)3)16-10-11-5-7-18-8-6-11/h11-12H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyZSMAUUQJTLEIIL-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine

1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine (PubChem CID 119151483) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
PubChem CID119151483
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCOCC1)NC1CC1(C)C
InChIInChI=1S/C14H27N3O/c1-4-15-13(17-12-9-14(12,2)3)16-10-11-5-7-18-8-6-11/h11-12H,4-10H2,1-3H3,(H2,15,16,17)
InChIKeyZSMAUUQJTLEIIL-UHFFFAOYSA-N
XLogP1.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
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'}

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Related Compounds

1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 119129933
1-amino-3-ethyl-2-(oxan-4-ylmethyl)guanidine
CID 104886091
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119139838
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119134195
1-cyclopropyl-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642186
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine
CID 119162854
2-(cyclopropylmethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111870289
1-ethyl-3-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 119155673
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111188083
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119162853
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150551

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine (CID 119151483) is 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine is CCN/C(=N\CC1CCOCC1)NC1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
The InChIKey is ZSMAUUQJTLEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-15-13(17-12-9-14(12,2)3)16-10-11-5-7-18-8-6-11/h11-12H,4-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine?
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxan-4-ylmethyl)guanidine is sourced from PubChem (CID 119151483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).