2-dodecoxyguanidine

C13H29N3O — CID 158305776

IUPAC2-dodecoxyguanidine
SMILESCCCCCCCCCCCCON=C(N)N
InChIInChI=1S/C13H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
InChIKeyGNBGRIWCKRXBOP-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.11
Rot. Bonds12

About 2-dodecoxyguanidine

2-dodecoxyguanidine (PubChem CID 158305776) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-dodecoxyguanidine.

Molecular Properties

Compound Name2-dodecoxyguanidine
PubChem CID158305776
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-dodecoxyguanidine
SMILESCCCCCCCCCCCCON=C(N)N
InChIInChI=1S/C13H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
InChIKeyGNBGRIWCKRXBOP-UHFFFAOYSA-N
XLogP3.11
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.11
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-decoxyguanidine
CID 154161085
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-dodecoxyguanidine?
The IUPAC name of 2-dodecoxyguanidine (CID 158305776) is 2-dodecoxyguanidine.
What is the SMILES notation for 2-dodecoxyguanidine?
The canonical SMILES for 2-dodecoxyguanidine is CCCCCCCCCCCCON=C(N)N.
What is the InChIKey of 2-dodecoxyguanidine?
The InChIKey is GNBGRIWCKRXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-17-16-13(14)15/h2-12H2,1H3,(H4,14,15,16).
What are the key properties of 2-dodecoxyguanidine?
2-dodecoxyguanidine has a molecular weight of 243.39 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyguanidine is sourced from PubChem (CID 158305776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).