tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate

C14H28N4O2 — CID 99846010

IUPACtert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate
SMILESCN(CC/N=C(\N)N1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)17(4)11-8-16-12(15)18-9-6-5-7-10-18/h5-11H2,1-4H3,(H2,15,16)
InChIKeyPITZWZOIWCPJCN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate (PubChem CID 99846010) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate
PubChem CID99846010
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Nametert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate
SMILESCN(CC/N=C(\N)N1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)17(4)11-8-16-12(15)18-9-6-5-7-10-18/h5-11H2,1-4H3,(H2,15,16)
InChIKeyPITZWZOIWCPJCN-UHFFFAOYSA-N
XLogP1.65
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate (CID 99846010) is tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate is CN(CC/N=C(\N)N1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate?
The InChIKey is PITZWZOIWCPJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)17(4)11-8-16-12(15)18-9-6-5-7-10-18/h5-11H2,1-4H3,(H2,15,16).
What are the key properties of tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate has a molecular weight of 284.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 99846010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).