1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide

C14H30IN3 — CID 109482954

IUPAC1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(C)C.I
InChIInChI=1S/C14H29N3.HI/c1-6-7-8-9-10-11-17(5)14(15-4)16-12-13(2)3;/h6,13H,1,7-12H2,2-5H3,(H,15,16);1H
InChIKeyYFDQBAUKWMSIQQ-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.51
Rot. Bonds8

About 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide

1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 109482954) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
PubChem CID109482954
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(C)C.I
InChIInChI=1S/C14H29N3.HI/c1-6-7-8-9-10-11-17(5)14(15-4)16-12-13(2)3;/h6,13H,1,7-12H2,2-5H3,(H,15,16);1H
InChIKeyYFDQBAUKWMSIQQ-UHFFFAOYSA-N
XLogP3.51
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.51
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-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109483544
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109483545
2-(2,2-Difluoroethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483559
3-(2,2-Difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483769
3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109484214
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109484215
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
3-Ethyl-1-methyl-1-pent-4-enyl-2-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109496893
3-Ethyl-1-methyl-1-pent-4-enyl-2-(5,5,5-trifluoropentyl)guanidine
CID 109496894
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
1,2-Dimethyl-1-pent-4-enyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109498805

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide (CID 109482954) is 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCC(C)C.I.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is YFDQBAUKWMSIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-6-7-8-9-10-11-17(5)14(15-4)16-12-13(2)3;/h6,13H,1,7-12H2,2-5H3,(H,15,16);1H.
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide?
1-hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.51, 8 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-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 109482954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).