1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide

C15H30IN3 — CID 109484190

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC/C=C/C.I
InChIInChI=1S/C15H29N3.HI/c1-5-7-9-10-12-14-18(4)15(16-3)17-13-11-8-6-2;/h5-6,8H,1,7,9-14H2,2-4H3,(H,16,17);1H/b8-6+;
InChIKeyMUXWIJIXOWOWCH-WVLIHFOGSA-N
MW379.33 g/mol
LogP3.82
Rot. Bonds9

About 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide

1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide (PubChem CID 109484190) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
PubChem CID109484190
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC/C=C/C.I
InChIInChI=1S/C15H29N3.HI/c1-5-7-9-10-12-14-18(4)15(16-3)17-13-11-8-6-2;/h5-6,8H,1,7,9-14H2,2-4H3,(H,16,17);1H/b8-6+;
InChIKeyMUXWIJIXOWOWCH-WVLIHFOGSA-N
XLogP3.82
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 ≤ 53.82
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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Related Compounds

1-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109483544

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide (CID 109484190) is 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCC/C=C/C.I.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
The InChIKey is MUXWIJIXOWOWCH-WVLIHFOGSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-5-7-9-10-12-14-18(4)15(16-3)17-13-11-8-6-2;/h5-6,8H,1,7,9-14H2,2-4H3,(H,16,17);1H/b8-6+;.
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide?
1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide is sourced from PubChem (CID 109484190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).