tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate

C13H26N2O2 — CID 107237740

IUPACtert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
SMILESCC(C)CCNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-7-14-10-8-11(10)15-12(16)17-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyHNUFBFAJFSXYFL-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds5

About tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate

tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate (PubChem CID 107237740) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
PubChem CID107237740
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
SMILESCC(C)CCNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-7-14-10-8-11(10)15-12(16)17-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyHNUFBFAJFSXYFL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
CID 107237984
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(4-methylsulfanylbutylamino)cyclopropyl]carbamate
CID 107238133
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103901731

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate (CID 107237740) is tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate is CC(C)CCNC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate?
The InChIKey is HNUFBFAJFSXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)6-7-14-10-8-11(10)15-12(16)17-13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 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-(3-methylbutylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).