tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate

C12H26N2O3 — CID 103386929

IUPACtert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate
SMILESCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14-8-6-7-10(13-4)9-16-5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeySOSAEWNZBQJERL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.53
Rot. Bonds7

About tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate (PubChem CID 103386929) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate
PubChem CID103386929
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate
SMILESCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14-8-6-7-10(13-4)9-16-5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeySOSAEWNZBQJERL-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate (CID 103386929) is tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate is CNC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate?
The InChIKey is SOSAEWNZBQJERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14-8-6-7-10(13-4)9-16-5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(methylamino)pentyl]carbamate is sourced from PubChem (CID 103386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).