1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine

C14H25N3O2 — CID 97219837

IUPAC1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine
SMILESC1CO[C@H](COCCN=C(NC2CC2)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-2-13(19-8-1)10-18-9-7-15-14(16-11-3-4-11)17-12-5-6-12/h11-13H,1-10H2,(H2,15,16,17)/t13-/m0/s1
InChIKeyQYEAHZXBUUFBJV-ZDUSSCGKSA-N
MW267.37 g/mol
LogP1.04
Rot. Bonds7

About 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine

1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine (PubChem CID 97219837) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine
PubChem CID97219837
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine
SMILESC1CO[C@H](COCCN=C(NC2CC2)NC2CC2)C1
InChIInChI=1S/C14H25N3O2/c1-2-13(19-8-1)10-18-9-7-15-14(16-11-3-4-11)17-12-5-6-12/h11-13H,1-10H2,(H2,15,16,17)/t13-/m0/s1
InChIKeyQYEAHZXBUUFBJV-ZDUSSCGKSA-N
XLogP1.04
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111779625
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316586
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111548891
1-cyclohexyl-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111546556
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768913
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839
1-ethyl-3-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111161880
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111604611
1-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111642556
1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036016

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine?
The IUPAC name of 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine (CID 97219837) is 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine.
What is the SMILES notation for 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine?
The canonical SMILES for 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine is C1CO[C@H](COCCN=C(NC2CC2)NC2CC2)C1.
What is the InChIKey of 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine?
The InChIKey is QYEAHZXBUUFBJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-13(19-8-1)10-18-9-7-15-14(16-11-3-4-11)17-12-5-6-12/h11-13H,1-10H2,(H2,15,16,17)/t13-/m0/s1.
What are the key properties of 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine?
1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine has a molecular weight of 267.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine is sourced from PubChem (CID 97219837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).