N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide

C11H23N3 — CID 63177549

IUPACN'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)CN1CCCCC1
InChIInChI=1S/C11H23N3/c1-3-11(12)13-10(2)9-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyRBHWPHIGPUNTMX-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.63
Rot. Bonds4

About N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide

N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide (PubChem CID 63177549) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
PubChem CID63177549
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)CN1CCCCC1
InChIInChI=1S/C11H23N3/c1-3-11(12)13-10(2)9-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyRBHWPHIGPUNTMX-UHFFFAOYSA-N
XLogP1.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
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'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
1-(2-isocyanatopropyl)piperidine
CID 63109892
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-(azonan-1-yl)butan-2-ol
CID 130671766
N'-(6-methylheptan-2-yl)propanimidamide
CID 63177540
2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
CID 138651702
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
CID 55160168
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 75418876
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734

Frequently Asked Questions

What is the IUPAC name of N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide?
The IUPAC name of N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide (CID 63177549) is N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide.
What is the SMILES notation for N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide?
The canonical SMILES for N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide is CC/C(N)=N\C(C)CN1CCCCC1.
What is the InChIKey of N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide?
The InChIKey is RBHWPHIGPUNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-11(12)13-10(2)9-14-7-5-4-6-8-14/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide?
N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide is sourced from PubChem (CID 63177549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).