tert-butyl N-[5-(methylamino)pentyl]carbamate

C11H24N2O2 — CID 87263201

IUPACtert-butyl N-[5-(methylamino)pentyl]carbamate
SMILESCNCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-6-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyBMLZYLJFEUKOOF-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.90
Rot. Bonds6

About tert-butyl N-[5-(methylamino)pentyl]carbamate

tert-butyl N-[5-(methylamino)pentyl]carbamate (PubChem CID 87263201) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[5-(methylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(methylamino)pentyl]carbamate
PubChem CID87263201
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[5-(methylamino)pentyl]carbamate
SMILESCNCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-6-8-12-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyBMLZYLJFEUKOOF-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
CID 54708081
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(methylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(methylamino)pentyl]carbamate (CID 87263201) is tert-butyl N-[5-(methylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(methylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(methylamino)pentyl]carbamate is CNCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(methylamino)pentyl]carbamate?
The InChIKey is BMLZYLJFEUKOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-6-8-12-4/h12H,5-9H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[5-(methylamino)pentyl]carbamate?
tert-butyl N-[5-(methylamino)pentyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(methylamino)pentyl]carbamate is sourced from PubChem (CID 87263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).