tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide

C15H31IN4O2 — CID 75532957

IUPACtert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
SMILESCCCN/C(N)=N/CC1CCN(C(=O)OC(C)(C)C)CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-5-8-17-13(16)18-11-12-6-9-19(10-7-12)14(20)21-15(2,3)4;/h12H,5-11H2,1-4H3,(H3,16,17,18);1H
InChIKeyWDDIAPUQYPNPQA-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide

tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide (PubChem CID 75532957) has the molecular formula C15H31IN4O2 and a molecular weight of 426.34 g/mol. Its IUPAC name is tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide.

Molecular Properties

Compound Nametert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
PubChem CID75532957
Molecular FormulaC15H31IN4O2
Molecular Weight426.34 g/mol
Exact Mass426.15
IUPAC Nametert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
SMILESCCCN/C(N)=N/CC1CCN(C(=O)OC(C)(C)C)CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-5-8-17-13(16)18-11-12-6-9-19(10-7-12)14(20)21-15(2,3)4;/h12H,5-11H2,1-4H3,(H3,16,17,18);1H
InChIKeyWDDIAPUQYPNPQA-UHFFFAOYSA-N
XLogP2.57
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide?
The IUPAC name of tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide (CID 75532957) is tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide.
What is the SMILES notation for tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide?
The canonical SMILES for tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide is CCCN/C(N)=N/CC1CCN(C(=O)OC(C)(C)C)CC1.I.
What is the InChIKey of tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide?
The InChIKey is WDDIAPUQYPNPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.HI/c1-5-8-17-13(16)18-11-12-6-9-19(10-7-12)14(20)21-15(2,3)4;/h12H,5-11H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide?
tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide has a molecular weight of 426.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide is sourced from PubChem (CID 75532957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).