2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine

C14H28N4O — CID 111065628

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/CC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N4O/c1-2-19-9-3-7-16-14(15)17-10-12-6-8-18(11-12)13-4-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyGOZXALKIMXDEIZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.80
Rot. Bonds8

About 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine

2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine (PubChem CID 111065628) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine
PubChem CID111065628
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/CC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N4O/c1-2-19-9-3-7-16-14(15)17-10-12-6-8-18(11-12)13-4-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyGOZXALKIMXDEIZ-UHFFFAOYSA-N
XLogP0.80
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.80
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

2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111894435
1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine
CID 64868822
tert-butyl 4-[[[amino-(3-ethoxypropylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111063009
1-(1-cyclopropylpyrrolidin-3-yl)-3-(3-ethoxypropyl)thiourea
CID 115594287
1-octyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111081761
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111065625
1-octyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081760
1-hexyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081768
1-amino-3-(3-ethoxypropyl)-2-[(1-ethylpiperidin-4-yl)methyl]guanidine
CID 104885124
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111065669
1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080187
1-(3-ethoxypropyl)-2-[(2S)-2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 95333142

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine (CID 111065628) is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine is CCOCCCN/C(N)=N/CC1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine?
The InChIKey is GOZXALKIMXDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-2-19-9-3-7-16-14(15)17-10-12-6-8-18(11-12)13-4-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine?
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine has a molecular weight of 268.40 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 111065628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).