tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate

C13H26N2O2 — CID 84703390

IUPACtert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
SMILESCC(C)NC1(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-13(6-7-13)8-9-14-11(16)17-12(3,4)5/h10,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyCIKVZXBKLDVRHO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate

tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate (PubChem CID 84703390) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
PubChem CID84703390
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
SMILESCC(C)NC1(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-13(6-7-13)8-9-14-11(16)17-12(3,4)5/h10,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyCIKVZXBKLDVRHO-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(2-methyl-3-oxobutyl)cyclopropyl]ethyl]carbamate
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tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
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tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
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tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
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tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
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tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
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tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
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tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
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CID 115071660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate (CID 84703390) is tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate is CC(C)NC1(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate?
The InChIKey is CIKVZXBKLDVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-13(6-7-13)8-9-14-11(16)17-12(3,4)5/h10,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate?
tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate is sourced from PubChem (CID 84703390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).