1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C15H29IN4 — CID 111962772

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN(CC1CC1)C1CC1)NC1CC1C.I
InChIInChI=1S/C15H28N4.HI/c1-11-9-14(11)18-15(16-2)17-7-8-19(13-5-6-13)10-12-3-4-12;/h11-14H,3-10H2,1-2H3,(H2,16,17,18);1H
InChIKeyDTENEDFJGHWRMU-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111962772) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111962772
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN(CC1CC1)C1CC1)NC1CC1C.I
InChIInChI=1S/C15H28N4.HI/c1-11-9-14(11)18-15(16-2)17-7-8-19(13-5-6-13)10-12-3-4-12;/h11-14H,3-10H2,1-2H3,(H2,16,17,18);1H
InChIKeyDTENEDFJGHWRMU-UHFFFAOYSA-N
XLogP2.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111130336
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387186
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405274
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370668
1-(3-cyclohexyloxypropyl)-3-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111397437
2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111961691
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215654
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970488
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006245
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111962772) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is C/N=C(\NCCN(CC1CC1)C1CC1)NC1CC1C.I.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is DTENEDFJGHWRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-11-9-14(11)18-15(16-2)17-7-8-19(13-5-6-13)10-12-3-4-12;/h11-14H,3-10H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111962772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).