3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine

C12H28N4O2 — CID 104888011

IUPAC3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine
SMILESCCC/N=C(/NN)N(CCOCC)CCOCC
InChIInChI=1S/C12H28N4O2/c1-4-7-14-12(15-13)16(8-10-17-5-2)9-11-18-6-3/h4-11,13H2,1-3H3,(H,14,15)
InChIKeyLDNMPUWXBLZPTK-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.59
Rot. Bonds10

About 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine

3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine (PubChem CID 104888011) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine
PubChem CID104888011
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Name3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine
SMILESCCC/N=C(/NN)N(CCOCC)CCOCC
InChIInChI=1S/C12H28N4O2/c1-4-7-14-12(15-13)16(8-10-17-5-2)9-11-18-6-3/h4-11,13H2,1-3H3,(H,14,15)
InChIKeyLDNMPUWXBLZPTK-UHFFFAOYSA-N
XLogP0.59
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
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

3-amino-2-(3-ethoxypropyl)-1,1-dipropylguanidine
CID 104883379
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propylguanidine
CID 104884628
3-amino-2-(3-ethoxypropyl)-1-methyl-1-pentylguanidine
CID 104883670
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
CID 104886056
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine?
The IUPAC name of 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine (CID 104888011) is 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine.
What is the SMILES notation for 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine?
The canonical SMILES for 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine is CCC/N=C(/NN)N(CCOCC)CCOCC.
What is the InChIKey of 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine?
The InChIKey is LDNMPUWXBLZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2/c1-4-7-14-12(15-13)16(8-10-17-5-2)9-11-18-6-3/h4-11,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine?
3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine has a molecular weight of 260.38 g/mol, XLogP of 0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine is sourced from PubChem (CID 104888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).