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

C14H28IN3 — CID 109483458

IUPAC3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1.I
InChIInChI=1S/C14H27N3.HI/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);1H
InChIKeyZCFXXPVHIMZGJA-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.41
Rot. Bonds8

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

3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483458) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483458
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1.I
InChIInChI=1S/C14H27N3.HI/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);1H
InChIKeyZCFXXPVHIMZGJA-UHFFFAOYSA-N
XLogP3.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.41
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483458) is 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CC)NC1CC1.I.
What is the InChIKey of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is ZCFXXPVHIMZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/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);1H.
What are the key properties of 3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.41, 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;hydroiodide is sourced from PubChem (CID 109483458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).