3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

C14H30IN3 — CID 109483890

IUPAC3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCCC.I
InChIInChI=1S/C14H29N3.HI/c1-5-7-9-10-11-13-17(4)14(15-3)16-12-8-6-2;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyLZCIVMHPTIALNE-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.66
Rot. Bonds9

About 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483890) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483890
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCCC.I
InChIInChI=1S/C14H29N3.HI/c1-5-7-9-10-11-13-17(4)14(15-3)16-12-8-6-2;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyLZCIVMHPTIALNE-UHFFFAOYSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
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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Related Compounds

3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
CID 109483309
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
1-hept-6-enyl-1,2-dimethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 109483536
1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 109483724
3-[2-[ethyl(methyl)amino]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498005
3-(4-ethoxybutyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497993
1-hept-6-enyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483880
2-[[butylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110043703
methyl 5-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]pentanoate
CID 109483865
3-(2,2-difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483768
3-(2-ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499097
methyl 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanoate
CID 109483183

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483890) is 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCCCC.I.
What is the InChIKey of 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is LZCIVMHPTIALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-5-7-9-10-11-13-17(4)14(15-3)16-12-8-6-2;/h5H,1,6-13H2,2-4H3,(H,15,16);1H.
What are the key properties of 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 367.32 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 3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).