1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine

C14H29N3O — CID 111601024

IUPAC1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCC(OCC)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-3-10-16-14(15)17-11-9-13(18-4-2)12-7-5-6-8-12/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyYTSPFVOAUMGWHG-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.29
Rot. Bonds8

About 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine

1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine (PubChem CID 111601024) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
PubChem CID111601024
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCC(OCC)C1CCCC1
InChIInChI=1S/C14H29N3O/c1-3-10-16-14(15)17-11-9-13(18-4-2)12-7-5-6-8-12/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyYTSPFVOAUMGWHG-UHFFFAOYSA-N
XLogP2.29
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.29
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

(2S)-2-amino-N-(3-cyclopentyl-3-ethoxypropyl)propanamide
CID 119343507
2-amino-N-(3-cyclopentyl-3-ethoxypropyl)acetamide;hydrochloride
CID 119343510
3-amino-N-(3-cyclopentyl-3-ethoxypropyl)-2-methylbutanamide;hydrochloride
CID 120502230
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111967571
2-(3-cyclopentyl-3-ethoxypropyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111601037
1-amino-N-(3-cyclopentyl-3-ethoxypropyl)cyclohexane-1-carboxamide
CID 119343531
1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 111966637
(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
CID 95757314
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
N-(3-cyclopentyl-3-ethoxypropyl)morpholine-3-carboxamide
CID 119818458
1-(1-cyclohexylethyl)-2-propylguanidine
CID 62406352
N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
CID 111601054

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine?
The IUPAC name of 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine (CID 111601024) is 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine?
The canonical SMILES for 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine is CCC/N=C(\N)NCCC(OCC)C1CCCC1.
What is the InChIKey of 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine?
The InChIKey is YTSPFVOAUMGWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-10-16-14(15)17-11-9-13(18-4-2)12-7-5-6-8-12/h12-13H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine?
1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine has a molecular weight of 255.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine is sourced from PubChem (CID 111601024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).