3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine

C14H27N3 — CID 109483459

IUPAC3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1
InChIInChI=1S/C14H27N3/c1-4-6-7-8-9-12-17(3)14(15-5-2)16-13-10-11-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyXECJCHWEYUORFB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.79
Rot. Bonds8

About 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine

3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine (PubChem CID 109483459) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
PubChem CID109483459
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1
InChIInChI=1S/C14H27N3/c1-4-6-7-8-9-12-17(3)14(15-5-2)16-13-10-11-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyXECJCHWEYUORFB-UHFFFAOYSA-N
XLogP2.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine?
The IUPAC name of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine (CID 109483459) is 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine?
The canonical SMILES for 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine is C=CCCCCCN(C)/C(=N\CC)NC1CC1.
What is the InChIKey of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine?
The InChIKey is XECJCHWEYUORFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-7-8-9-12-17(3)14(15-5-2)16-13-10-11-13/h4,13H,1,5-12H2,2-3H3,(H,15,16).
What are the key properties of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine?
3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine is sourced from PubChem (CID 109483459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).