2-decoxyguanidine

C11H25N3O — CID 154161085

IUPAC2-decoxyguanidine
SMILESCCCCCCCCCCON=C(N)N
InChIInChI=1S/C11H25N3O/c1-2-3-4-5-6-7-8-9-10-15-14-11(12)13/h2-10H2,1H3,(H4,12,13,14)
InChIKeyPUNHFCPQTFYUAW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.33
Rot. Bonds10

About 2-decoxyguanidine

2-decoxyguanidine (PubChem CID 154161085) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-decoxyguanidine.

Molecular Properties

Compound Name2-decoxyguanidine
PubChem CID154161085
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-decoxyguanidine
SMILESCCCCCCCCCCON=C(N)N
InChIInChI=1S/C11H25N3O/c1-2-3-4-5-6-7-8-9-10-15-14-11(12)13/h2-10H2,1H3,(H4,12,13,14)
InChIKeyPUNHFCPQTFYUAW-UHFFFAOYSA-N
XLogP2.33
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.33
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-dodecoxyguanidine
CID 158305776
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
bis(diaminomethylideneamino) hexyl phosphate
CID 175452022
tetratriacontyl carbonobromidate
CID 174733362
hexadecoxyiminosilane
CID 173221095
(E)-N-pentoxypentan-1-imine
CID 18714719
octacosyl carbamate
CID 160925840
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
(E)-N-[6-[(Z)-butan-2-ylideneamino]oxyhexoxy]butan-2-imine
CID 163402876
alumane;hexyl octanoate
CID 174689028
(1E)-N-hexoxy-2-oxoethanimidoyl cyanide
CID 173232648

Frequently Asked Questions

What is the IUPAC name of 2-decoxyguanidine?
The IUPAC name of 2-decoxyguanidine (CID 154161085) is 2-decoxyguanidine.
What is the SMILES notation for 2-decoxyguanidine?
The canonical SMILES for 2-decoxyguanidine is CCCCCCCCCCON=C(N)N.
What is the InChIKey of 2-decoxyguanidine?
The InChIKey is PUNHFCPQTFYUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-2-3-4-5-6-7-8-9-10-15-14-11(12)13/h2-10H2,1H3,(H4,12,13,14).
What are the key properties of 2-decoxyguanidine?
2-decoxyguanidine has a molecular weight of 215.34 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxyguanidine is sourced from PubChem (CID 154161085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).