2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

C15H30IN3 — CID 109483274

IUPAC2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CC1)NCC.I
InChIInChI=1S/C15H29N3.HI/c1-4-6-7-8-9-12-18(3)15(16-5-2)17-13-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,16,17);1H
InChIKeyBOVSZCYFERPTBI-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.66
Rot. Bonds9

About 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide

2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (PubChem CID 109483274) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
PubChem CID109483274
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/CC1CC1)NCC.I
InChIInChI=1S/C15H29N3.HI/c1-4-6-7-8-9-12-18(3)15(16-5-2)17-13-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,16,17);1H
InChIKeyBOVSZCYFERPTBI-UHFFFAOYSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.66
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 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide (CID 109483274) is 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/CC1CC1)NCC.I.
What is the InChIKey of 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
The InChIKey is BOVSZCYFERPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-4-6-7-8-9-12-18(3)15(16-5-2)17-13-14-10-11-14;/h4,14H,1,5-13H2,2-3H3,(H,16,17);1H.
What are the key properties of 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide?
2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).