tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate

C15H30N2O2 — CID 103761015

IUPACtert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
SMILESCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H30N2O2/c1-6-7-10-17-15(5,12-8-9-12)11-16-13(18)19-14(2,3)4/h12,17H,6-11H2,1-5H3,(H,16,18)
InChIKeyFEOWKMUFBNNJLE-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.07
Rot. Bonds7

About tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate

tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate (PubChem CID 103761015) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
PubChem CID103761015
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
SMILESCCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H30N2O2/c1-6-7-10-17-15(5,12-8-9-12)11-16-13(18)19-14(2,3)4/h12,17H,6-11H2,1-5H3,(H,16,18)
InChIKeyFEOWKMUFBNNJLE-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
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-[2-(butylamino)-2-cyclopropylpropyl]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-cyclopropyl-2-(pentylamino)propyl]carbamate
CID 103790497
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
CID 103740239
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
CID 107252063
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate (CID 103761015) is tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate is CCCCNC(C)(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate?
The InChIKey is FEOWKMUFBNNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-7-10-17-15(5,12-8-9-12)11-16-13(18)19-14(2,3)4/h12,17H,6-11H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate?
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate is sourced from PubChem (CID 103761015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).