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

C10H22N2O2 — CID 16743802

IUPACtert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)11-6-7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyKQKFEZDHBCMHMF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds4

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

tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 16743802) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
PubChem CID16743802
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)11-6-7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyKQKFEZDHBCMHMF-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
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

tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
CID 115606965
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
CID 102610042
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate (CID 16743802) is tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate is CC(C)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is KQKFEZDHBCMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)11-6-7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.51, 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)ethyl]carbamate is sourced from PubChem (CID 16743802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).