tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate

C11H24N2O2 — CID 103386965

IUPACtert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)13-9(3)7-12-10(14)15-11(4,5)6/h8-9,13H,7H2,1-6H3,(H,12,14)
InChIKeyLWVDQDWSFUBGJQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate

tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate (PubChem CID 103386965) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
PubChem CID103386965
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
SMILESCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)13-9(3)7-12-10(14)15-11(4,5)6/h8-9,13H,7H2,1-6H3,(H,12,14)
InChIKeyLWVDQDWSFUBGJQ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[3,3,3-trifluoro-2-(propan-2-ylamino)propyl]carbamate
CID 172503243
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
CID 103390979
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate (CID 103386965) is tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate is CC(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate?
The InChIKey is LWVDQDWSFUBGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)13-9(3)7-12-10(14)15-11(4,5)6/h8-9,13H,7H2,1-6H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103386965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).