3-(propan-2-ylamino)propyl N-tert-butylcarbamate

C11H24N2O2 — CID 79337530

IUPAC3-(propan-2-ylamino)propyl N-tert-butylcarbamate
SMILESCC(C)NCCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-7-6-8-15-10(14)13-11(3,4)5/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyFJTUYDTXCQPUBV-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.90
Rot. Bonds5

About 3-(propan-2-ylamino)propyl N-tert-butylcarbamate

3-(propan-2-ylamino)propyl N-tert-butylcarbamate (PubChem CID 79337530) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(propan-2-ylamino)propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-(propan-2-ylamino)propyl N-tert-butylcarbamate
PubChem CID79337530
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(propan-2-ylamino)propyl N-tert-butylcarbamate
SMILESCC(C)NCCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-7-6-8-15-10(14)13-11(3,4)5/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyFJTUYDTXCQPUBV-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
3-(propan-2-ylamino)propyl N,N-dimethylcarbamate
CID 79338449
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
CID 11151722
O-[3-(propan-2-ylamino)propyl]hydroxylamine
CID 143003444
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-[3-(propan-2-ylamino)propoxy]propanoic acid
CID 106939688
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)propyl N-tert-butylcarbamate?
The IUPAC name of 3-(propan-2-ylamino)propyl N-tert-butylcarbamate (CID 79337530) is 3-(propan-2-ylamino)propyl N-tert-butylcarbamate.
What is the SMILES notation for 3-(propan-2-ylamino)propyl N-tert-butylcarbamate?
The canonical SMILES for 3-(propan-2-ylamino)propyl N-tert-butylcarbamate is CC(C)NCCCOC(=O)NC(C)(C)C.
What is the InChIKey of 3-(propan-2-ylamino)propyl N-tert-butylcarbamate?
The InChIKey is FJTUYDTXCQPUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)12-7-6-8-15-10(14)13-11(3,4)5/h9,12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-(propan-2-ylamino)propyl N-tert-butylcarbamate?
3-(propan-2-ylamino)propyl N-tert-butylcarbamate has a molecular weight of 216.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)propyl N-tert-butylcarbamate is sourced from PubChem (CID 79337530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).