1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine

C14H26N4 — CID 119153758

IUPAC1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H26N4/c1-15-14(16-11-3-2-4-11)17-12-7-9-18(10-8-12)13-5-6-13/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyUHXNCIMAIBBUFY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.33
Rot. Bonds3

About 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine

1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine (PubChem CID 119153758) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
PubChem CID119153758
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\NC1CCC1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H26N4/c1-15-14(16-11-3-2-4-11)17-12-7-9-18(10-8-12)13-5-6-13/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyUHXNCIMAIBBUFY-UHFFFAOYSA-N
XLogP1.33
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.33
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'}

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Related Compounds

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155172
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154
1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119153825
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111989885
1-(1-cyclopropylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109393894
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine?
The IUPAC name of 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine (CID 119153758) is 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine.
What is the SMILES notation for 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine?
The canonical SMILES for 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine is C/N=C(\NC1CCC1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine?
The InChIKey is UHXNCIMAIBBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-15-14(16-11-3-2-4-11)17-12-7-9-18(10-8-12)13-5-6-13/h11-13H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine?
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine has a molecular weight of 250.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine is sourced from PubChem (CID 119153758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).