1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C14H30N4 — CID 52525028

IUPAC1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCC[C@H](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)/t12-/m0/s1
InChIKeyQGYYFUJEQGTNGP-LBPRGKRZSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds5

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

1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 52525028) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID52525028
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCC[C@H](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)/t12-/m0/s1
InChIKeyQGYYFUJEQGTNGP-LBPRGKRZSA-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

1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
1-butan-2-yl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110945084
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125239
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110920182
1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111028792
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111028845
1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 52525028) is 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CC[C@H](C)N/C(N)=N/CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is QGYYFUJEQGTNGP-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
1-[(2S)-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-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 52525028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).