1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C15H33N5O — CID 104882999

IUPAC1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C15H33N5O/c1-3-21-13-7-10-18-15(19-16)17-9-6-12-20-11-5-4-8-14(20)2/h14H,3-13,16H2,1-2H3,(H2,17,18,19)
InChIKeyGTENNCKJFOEJQM-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.09
Rot. Bonds9

About 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 104882999) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID104882999
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCCN1CCCCC1C
InChIInChI=1S/C15H33N5O/c1-3-21-13-7-10-18-15(19-16)17-9-6-12-20-11-5-4-8-14(20)2/h14H,3-13,16H2,1-2H3,(H2,17,18,19)
InChIKeyGTENNCKJFOEJQM-UHFFFAOYSA-N
XLogP1.09
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104881937
1-Amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine
CID 104882388
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882510
1-Amino-3-cyclohexyl-2-(3-methoxypropyl)guanidine
CID 104882767
1-Amino-2-(3-ethoxypropyl)-3-pentan-2-ylguanidine
CID 104882927
1-Amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104882997
1-Amino-3-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104882998
1-Amino-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104883000
1-Amino-3-[3-(2-methylpiperidin-1-yl)propyl]-2-propylguanidine
CID 104883001
1-Amino-2-(3-methoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104883003
1-Amino-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104883007
1-Amino-3-[5-(diethylamino)pentan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104883020

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 104882999) is 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is CCOCCC/N=C(\NN)NCCCN1CCCCC1C.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is GTENNCKJFOEJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O/c1-3-21-13-7-10-18-15(19-16)17-9-6-12-20-11-5-4-8-14(20)2/h14H,3-13,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 299.46 g/mol, XLogP of 1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 104882999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).