1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

C15H29IN4 — CID 119153825

IUPAC1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCN(CC2CC2)CC1.I
InChIInChI=1S/C15H28N4.HI/c1-16-15(17-13-3-2-4-13)18-14-7-9-19(10-8-14)11-12-5-6-12;/h12-14H,2-11H2,1H3,(H2,16,17,18);1H
InChIKeyIPPDOZFJKKAWMT-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.20
Rot. Bonds4

About 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide

1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide (PubChem CID 119153825) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
PubChem CID119153825
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCN(CC2CC2)CC1.I
InChIInChI=1S/C15H28N4.HI/c1-16-15(17-13-3-2-4-13)18-14-7-9-19(10-8-14)11-12-5-6-12;/h12-14H,2-11H2,1H3,(H2,16,17,18);1H
InChIKeyIPPDOZFJKKAWMT-UHFFFAOYSA-N
XLogP2.20
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.20
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-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[(3-hydroxythiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 119162005
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110957529
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide (CID 119153825) is 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide is C/N=C(\NC1CCC1)NC1CCN(CC2CC2)CC1.I.
What is the InChIKey of 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
The InChIKey is IPPDOZFJKKAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-16-15(17-13-3-2-4-13)18-14-7-9-19(10-8-14)11-12-5-6-12;/h12-14H,2-11H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide?
1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119153825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).