1-amino-2-(4-methoxybutyl)guanidine

C6H16N4O — CID 64866664

IUPAC1-amino-2-(4-methoxybutyl)guanidine
SMILESCOCCCC/N=C(\N)NN
InChIInChI=1S/C6H16N4O/c1-11-5-3-2-4-9-6(7)10-8/h2-5,8H2,1H3,(H3,7,9,10)
InChIKeyIFSVEOQKNWCBEO-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.81
Rot. Bonds5

About 1-amino-2-(4-methoxybutyl)guanidine

1-amino-2-(4-methoxybutyl)guanidine (PubChem CID 64866664) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-amino-2-(4-methoxybutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-methoxybutyl)guanidine
PubChem CID64866664
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name1-amino-2-(4-methoxybutyl)guanidine
SMILESCOCCCC/N=C(\N)NN
InChIInChI=1S/C6H16N4O/c1-11-5-3-2-4-9-6(7)10-8/h2-5,8H2,1H3,(H3,7,9,10)
InChIKeyIFSVEOQKNWCBEO-UHFFFAOYSA-N
XLogP-0.81
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.81
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-tert-butyl-2-(5-methoxypentyl)guanidine
CID 103646401
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
1-amino-2-(3-butoxypropyl)guanidine
CID 104864981
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
CID 104929458
1-amino-2-hex-5-ynylguanidine
CID 106213940
1-amino-2-propylguanidine;hydrochloride
CID 173441996
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methoxybutyl)guanidine?
The IUPAC name of 1-amino-2-(4-methoxybutyl)guanidine (CID 64866664) is 1-amino-2-(4-methoxybutyl)guanidine.
What is the SMILES notation for 1-amino-2-(4-methoxybutyl)guanidine?
The canonical SMILES for 1-amino-2-(4-methoxybutyl)guanidine is COCCCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-methoxybutyl)guanidine?
The InChIKey is IFSVEOQKNWCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-11-5-3-2-4-9-6(7)10-8/h2-5,8H2,1H3,(H3,7,9,10).
What are the key properties of 1-amino-2-(4-methoxybutyl)guanidine?
1-amino-2-(4-methoxybutyl)guanidine has a molecular weight of 160.22 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methoxybutyl)guanidine is sourced from PubChem (CID 64866664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).