3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine

C10H24N4O — CID 104883678

IUPAC3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
SMILESCCCCCN(C)/C(=N\CCOC)NN
InChIInChI=1S/C10H24N4O/c1-4-5-6-8-14(2)10(13-11)12-7-9-15-3/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyOEAPFXAKMXALAR-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.57
Rot. Bonds7

About 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine

3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine (PubChem CID 104883678) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
PubChem CID104883678
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
SMILESCCCCCN(C)/C(=N\CCOC)NN
InChIInChI=1S/C10H24N4O/c1-4-5-6-8-14(2)10(13-11)12-7-9-15-3/h4-9,11H2,1-3H3,(H,12,13)
InChIKeyOEAPFXAKMXALAR-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
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

3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
3-amino-2-(3-ethoxypropyl)-1-methyl-1-pentylguanidine
CID 104883670
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
CID 102999143
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
3-amino-2-(3-methoxypropyl)-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 104888242
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
CID 116515816
3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine
CID 104887591
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
1-butyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine
CID 111158413

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine?
The IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine (CID 104883678) is 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine.
What is the SMILES notation for 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine?
The canonical SMILES for 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine is CCCCCN(C)/C(=N\CCOC)NN.
What is the InChIKey of 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine?
The InChIKey is OEAPFXAKMXALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-4-5-6-8-14(2)10(13-11)12-7-9-15-3/h4-9,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine?
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine has a molecular weight of 216.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine is sourced from PubChem (CID 104883678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).