1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine

C17H34N4 — CID 111055057

IUPAC1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCN(C(C/N=C(\N)NCC2CCC2)C(C)C)CC1
InChIInChI=1S/C17H34N4/c1-13(2)16(21-9-7-14(3)8-10-21)12-20-17(18)19-11-15-5-4-6-15/h13-16H,4-12H2,1-3H3,(H3,18,19,20)
InChIKeySQYAJANNOPFVNZ-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.45
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine

1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 111055057) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
PubChem CID111055057
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCN(C(C/N=C(\N)NCC2CCC2)C(C)C)CC1
InChIInChI=1S/C17H34N4/c1-13(2)16(21-9-7-14(3)8-10-21)12-20-17(18)19-11-15-5-4-6-15/h13-16H,4-12H2,1-3H3,(H3,18,19,20)
InChIKeySQYAJANNOPFVNZ-UHFFFAOYSA-N
XLogP2.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.45
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-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110925393
2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111055046
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
1-(cyclopropylmethyl)-2-methyl-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111868269
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 120663205
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047028
1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
CID 111042472
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111598615

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine (CID 111055057) is 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine is CC1CCN(C(C/N=C(\N)NCC2CCC2)C(C)C)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is SQYAJANNOPFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-13(2)16(21-9-7-14(3)8-10-21)12-20-17(18)19-11-15-5-4-6-15/h13-16H,4-12H2,1-3H3,(H3,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine?
1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 294.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 111055057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).