tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate

C14H28N2O3 — CID 142525218

IUPACtert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCCCCC=O
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-11-8-10-15-9-6-4-5-7-12-17/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyQNKLWNSLWKWPIL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.25
Rot. Bonds10

About tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate

tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate (PubChem CID 142525218) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
PubChem CID142525218
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCCCCC=O
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-11-8-10-15-9-6-4-5-7-12-17/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyQNKLWNSLWKWPIL-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(6-oxohexylamino)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-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
CID 58849446
CID 58849446
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]acetic acid
CID 10423479
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523
tert-butyl N-[5-oxo-5-(3-oxopropylamino)pentyl]carbamate
CID 54132798
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate (CID 142525218) is tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate is CC(C)(C)OC(=O)NCCCNCCCCCC=O.
What is the InChIKey of tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate?
The InChIKey is QNKLWNSLWKWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-11-8-10-15-9-6-4-5-7-12-17/h12,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate?
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate is sourced from PubChem (CID 142525218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).