tert-butyl N-(5-amino-5-iminopentyl)carbamate

C10H21N3O2 — CID 61430622

IUPACtert-butyl N-(5-amino-5-iminopentyl)carbamate
SMILES[H]/N=C(\N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14)
InChIKeyVPUTZTLGTCNJEH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.62
Rot. Bonds5

About tert-butyl N-(5-amino-5-iminopentyl)carbamate

tert-butyl N-(5-amino-5-iminopentyl)carbamate (PubChem CID 61430622) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-(5-amino-5-iminopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-5-iminopentyl)carbamate
PubChem CID61430622
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-(5-amino-5-iminopentyl)carbamate
SMILES[H]/N=C(\N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14)
InChIKeyVPUTZTLGTCNJEH-UHFFFAOYSA-N
XLogP1.62
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-amino-5-iminopentyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-5-iminopentyl)carbamate (CID 61430622) is tert-butyl N-(5-amino-5-iminopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-5-iminopentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-5-iminopentyl)carbamate is [H]/N=C(\N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-5-iminopentyl)carbamate?
The InChIKey is VPUTZTLGTCNJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14).
What are the key properties of tert-butyl N-(5-amino-5-iminopentyl)carbamate?
tert-butyl N-(5-amino-5-iminopentyl)carbamate has a molecular weight of 215.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-5-iminopentyl)carbamate is sourced from PubChem (CID 61430622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).