1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide

C15H30IN3 — CID 111869131

IUPAC1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1CCCCCCC1)NCC1CC1.I
InChIInChI=1S/C15H29N3.HI/c1-16-15(18-12-14-9-10-14)17-11-13-7-5-3-2-4-6-8-13;/h13-14H,2-12H2,1H3,(H2,16,17,18);1H
InChIKeyJHGMSAHDDMJQKS-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.54
Rot. Bonds4

About 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide

1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111869131) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
PubChem CID111869131
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC1CCCCCCC1)NCC1CC1.I
InChIInChI=1S/C15H29N3.HI/c1-16-15(18-12-14-9-10-14)17-11-13-7-5-3-2-4-6-8-13;/h13-14H,2-12H2,1H3,(H2,16,17,18);1H
InChIKeyJHGMSAHDDMJQKS-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
1-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(cyclobutylmethyl)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 119140565
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111867413
2-cyclopentyl-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111870072
1-(cyclopropylmethyl)-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320147
1-(3-cyclohexylpropyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947622
1-(cyclopropylmethyl)-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111870502
1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151375

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide (CID 111869131) is 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCC1CCCCCCC1)NCC1CC1.I.
What is the InChIKey of 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is JHGMSAHDDMJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-16-15(18-12-14-9-10-14)17-11-13-7-5-3-2-4-6-8-13;/h13-14H,2-12H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide?
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111869131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).