2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine

C14H27N3 — CID 110030438

IUPAC2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1CCCCCCC1)C1CC1
InChIInChI=1S/C14H27N3/c1-17(13-9-10-13)14(15)16-11-12-7-5-3-2-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyWKJPULXNRXRTKP-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine

2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine (PubChem CID 110030438) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
PubChem CID110030438
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1CCCCCCC1)C1CC1
InChIInChI=1S/C14H27N3/c1-17(13-9-10-13)14(15)16-11-12-7-5-3-2-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyWKJPULXNRXRTKP-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine (CID 110030438) is 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CC1CCCCCCC1)C1CC1.
What is the InChIKey of 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine?
The InChIKey is WKJPULXNRXRTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-17(13-9-10-13)14(15)16-11-12-7-5-3-2-4-6-8-12/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine?
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110030438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).