tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate

C14H30N2O2 — CID 107250285

IUPACtert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
SMILESCCCCCNCC(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-8-9-10-15-11-12(7-2)16-13(17)18-14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyIJDVLDFWICPUHX-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.07
Rot. Bonds8

About tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate

tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate (PubChem CID 107250285) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
PubChem CID107250285
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
SMILESCCCCCNCC(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-6-8-9-10-15-11-12(7-2)16-13(17)18-14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyIJDVLDFWICPUHX-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.07
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-[1-(pentylamino)butan-2-yl]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-[1-(3-methylsulfanylpropylamino)butan-2-yl]carbamate
CID 107250110
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
CID 107243932
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate (CID 107250285) is tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate is CCCCCNCC(CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate?
The InChIKey is IJDVLDFWICPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-8-9-10-15-11-12(7-2)16-13(17)18-14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate has a molecular weight of 258.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).