1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C14H30N4 — CID 51132122

IUPAC1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyQGYYFUJEQGTNGP-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds5

About 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 51132122) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID51132122
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1
InChIInChI=1S/C14H30N4/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18/h12H,5-11H2,1-4H3,(H3,15,16,17)
InChIKeyQGYYFUJEQGTNGP-UHFFFAOYSA-N
XLogP1.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
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

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
1,1,3,3-Tetramethyl-2-[2,5,6-tris[bis(dimethylamino)methylideneamino]-1,2,3,4,5,6-hexahydropyridin-1-ium-4-ylium-3-yl]guanidine
CID 138982106
N-ethyl-N'-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376883
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377120
N'-methyl-N-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377121
N'-methyl-N-(5,5,5-trifluoropentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377451
N-hexyl-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378996
1-Ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471111
1-Ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471679
2-Methyl-1-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472145
1-Ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473183

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 51132122) is 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is QGYYFUJEQGTNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18/h12H,5-11H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 51132122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).