3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

C14H28IN3 — CID 109483024

IUPAC3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CC1.I
InChIInChI=1S/C14H27N3.HI/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13;/h4,13H,1,5-12H2,2-3H3,(H,15,16);1H
InChIKeyPJKJZDGYZMPSKR-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.27
Rot. Bonds8

About 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483024) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483024
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CC1.I
InChIInChI=1S/C14H27N3.HI/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13;/h4,13H,1,5-12H2,2-3H3,(H,15,16);1H
InChIKeyPJKJZDGYZMPSKR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483024) is 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCC1CC1.I.
What is the InChIKey of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is PJKJZDGYZMPSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13;/h4,13H,1,5-12H2,2-3H3,(H,15,16);1H.
What are the key properties of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).