tert-butyl N-[3-(decylamino)propyl]carbamate

C18H38N2O2 — CID 103821957

IUPACtert-butyl N-[3-(decylamino)propyl]carbamate
SMILESCCCCCCCCCCNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-5-6-7-8-9-10-11-12-14-19-15-13-16-20-17(21)22-18(2,3)4/h19H,5-16H2,1-4H3,(H,20,21)
InChIKeyLDLBIMGGGRPUIX-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.63
Rot. Bonds13

About tert-butyl N-[3-(decylamino)propyl]carbamate

tert-butyl N-[3-(decylamino)propyl]carbamate (PubChem CID 103821957) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-[3-(decylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(decylamino)propyl]carbamate
PubChem CID103821957
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-[3-(decylamino)propyl]carbamate
SMILESCCCCCCCCCCNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-5-6-7-8-9-10-11-12-14-19-15-13-16-20-17(21)22-18(2,3)4/h19H,5-16H2,1-4H3,(H,20,21)
InChIKeyLDLBIMGGGRPUIX-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(decylamino)propyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[4-(hexylamino)butyl]carbamate;2,2,2-trifluoroacetaldehyde
CID 160758432
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-[2-(pentylamino)ethoxy]ethyl]carbamate
CID 167579388
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[3-(butanoylamino)propylamino]propyl]carbamate
CID 163381103
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(decylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(decylamino)propyl]carbamate (CID 103821957) is tert-butyl N-[3-(decylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(decylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(decylamino)propyl]carbamate is CCCCCCCCCCNCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(decylamino)propyl]carbamate?
The InChIKey is LDLBIMGGGRPUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-5-6-7-8-9-10-11-12-14-19-15-13-16-20-17(21)22-18(2,3)4/h19H,5-16H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(decylamino)propyl]carbamate?
tert-butyl N-[3-(decylamino)propyl]carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.63, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(decylamino)propyl]carbamate is sourced from PubChem (CID 103821957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).