2-(1-butoxyethyl)guanidine

C7H17N3O — CID 144608840

IUPAC2-(1-butoxyethyl)guanidine
SMILESCCCCOC(C)N=C(N)N
InChIInChI=1S/C7H17N3O/c1-3-4-5-11-6(2)10-7(8)9/h6H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyRKSVTYAOSCHAMF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.42
Rot. Bonds5

About 2-(1-butoxyethyl)guanidine

2-(1-butoxyethyl)guanidine (PubChem CID 144608840) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(1-butoxyethyl)guanidine.

Molecular Properties

Compound Name2-(1-butoxyethyl)guanidine
PubChem CID144608840
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-(1-butoxyethyl)guanidine
SMILESCCCCOC(C)N=C(N)N
InChIInChI=1S/C7H17N3O/c1-3-4-5-11-6(2)10-7(8)9/h6H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyRKSVTYAOSCHAMF-UHFFFAOYSA-N
XLogP0.42
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(diaminomethylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 146337147
butyl 2-(diaminomethylideneamino)-2-sulfanylacetate
CID 174969222
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1-pentoxyethanol
CID 19598527
methane;1-propan-2-yloxybutane
CID 158518476
1-propan-2-yloxybutane;zirconium
CID 174617524
2-(1-aminooxyethyl)guanidine
CID 173251677
1-heptacontoxyethanol
CID 169098461
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-nonan-5-ylguanidine
CID 88763433
2-pentoxypropanamide
CID 62900296
1-butoxyethanol;1-butoxypropan-1-ol
CID 161420365

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyethyl)guanidine?
The IUPAC name of 2-(1-butoxyethyl)guanidine (CID 144608840) is 2-(1-butoxyethyl)guanidine.
What is the SMILES notation for 2-(1-butoxyethyl)guanidine?
The canonical SMILES for 2-(1-butoxyethyl)guanidine is CCCCOC(C)N=C(N)N.
What is the InChIKey of 2-(1-butoxyethyl)guanidine?
The InChIKey is RKSVTYAOSCHAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-4-5-11-6(2)10-7(8)9/h6H,3-5H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-(1-butoxyethyl)guanidine?
2-(1-butoxyethyl)guanidine has a molecular weight of 159.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethyl)guanidine is sourced from PubChem (CID 144608840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).