1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine

C14H30N4O — CID 104886859

IUPAC1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCC(CC)C1C
InChIInChI=1S/C14H30N4O/c1-4-12-7-8-13(11(12)3)17-14(18-15)16-9-6-10-19-5-2/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyKWLWOLKCKLWQLQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.65
Rot. Bonds7

About 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine (PubChem CID 104886859) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
PubChem CID104886859
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCC(CC)C1C
InChIInChI=1S/C14H30N4O/c1-4-12-7-8-13(11(12)3)17-14(18-15)16-9-6-10-19-5-2/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyKWLWOLKCKLWQLQ-UHFFFAOYSA-N
XLogP1.65
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine
CID 104886858
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
CID 104931190
1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
CID 104886733
2-[[N-amino-N'-(3-ethoxypropyl)carbamimidoyl]amino]-N-cyclopropylpropanamide
CID 104888226
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
CID 111713489
1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
CID 104883054
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
1-amino-3-(1-cyclohexylpropyl)-2-(3-ethoxypropyl)guanidine
CID 104884008
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
1-amino-2-(3-ethoxypropyl)-3-[1-(oxolan-3-yl)ethyl]guanidine
CID 104889055
3-amino-2-(3-ethoxypropyl)-1,1-dipropylguanidine
CID 104883379

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine (CID 104886859) is 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine is CCOCCC/N=C(\NN)NC1CCC(CC)C1C.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The InChIKey is KWLWOLKCKLWQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-12-7-8-13(11(12)3)17-14(18-15)16-9-6-10-19-5-2/h11-13H,4-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine is sourced from PubChem (CID 104886859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).