3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

C16H30IN3 — CID 109498975

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCC1=CCCCC1.I
InChIInChI=1S/C16H29N3.HI/c1-4-5-9-14-19(3)16(17-2)18-13-12-15-10-7-6-8-11-15;/h4,10H,1,5-9,11-14H2,2-3H3,(H,17,18);1H
InChIKeySRQLRKIPLVZAHM-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.97
Rot. Bonds7

About 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498975) has the molecular formula C16H30IN3 and a molecular weight of 391.34 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498975
Molecular FormulaC16H30IN3
Molecular Weight391.34 g/mol
Exact Mass391.15
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\C)NCCC1=CCCCC1.I
InChIInChI=1S/C16H29N3.HI/c1-4-5-9-14-19(3)16(17-2)18-13-12-15-10-7-6-8-11-15;/h4,10H,1,5-9,11-14H2,2-3H3,(H,17,18);1H
InChIKeySRQLRKIPLVZAHM-UHFFFAOYSA-N
XLogP3.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.97
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

2-[(Z)-octadec-9-enyl]-1-[8-[[N'-[(Z)-octadec-9-enyl]carbamimidoyl]amino]octyl]guanidine
CID 172444260
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
3-(4-Methylpent-3-en-1-yl)-1-[9-([7-[(4-methylpent-3-en-1-yl)-carbamimidamido]heptyl]amino)nonyl]guanidine
CID 129661500

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (CID 109498975) is 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\C)NCCC1=CCCCC1.I.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is SRQLRKIPLVZAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3.HI/c1-4-5-9-14-19(3)16(17-2)18-13-12-15-10-7-6-8-11-15;/h4,10H,1,5-9,11-14H2,2-3H3,(H,17,18);1H.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 391.34 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).