2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine

C15H32N4 — CID 111080175

IUPAC2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-12(2)9-17-14(16)18-11-15(4,5)19-8-6-7-13(3)10-19/h12-13H,6-11H2,1-5H3,(H3,16,17,18)
InChIKeyRVLRRPPADMVOOS-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine

2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine (PubChem CID 111080175) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
PubChem CID111080175
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C15H32N4/c1-12(2)9-17-14(16)18-11-15(4,5)19-8-6-7-13(3)10-19/h12-13H,6-11H2,1-5H3,(H3,16,17,18)
InChIKeyRVLRRPPADMVOOS-UHFFFAOYSA-N
XLogP2.06
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.06
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

2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080187
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165
2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111080170
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111080214
2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047400
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111599534
1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028558
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110939301
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine (CID 111080175) is 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine?
The InChIKey is RVLRRPPADMVOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12(2)9-17-14(16)18-11-15(4,5)19-8-6-7-13(3)10-19/h12-13H,6-11H2,1-5H3,(H3,16,17,18).
What are the key properties of 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine?
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111080175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).