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

C14H28N2O2 — CID 107237984

IUPACtert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
SMILESCC(C)(C)CCNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)7-8-15-10-9-11(10)16-12(17)18-14(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyXXGTUVZKWZJCAS-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds4

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

tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate (PubChem CID 107237984) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
PubChem CID107237984
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
SMILESCC(C)(C)CCNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)7-8-15-10-9-11(10)16-12(17)18-14(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyXXGTUVZKWZJCAS-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(4-methylsulfanylbutylamino)cyclopropyl]carbamate
CID 107238133
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-[(2,5-dimethylphenyl)methylamino]cyclopropyl]carbamate
CID 107237951
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopropyl]carbamate
CID 107237595
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate (CID 107237984) is tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate is CC(C)(C)CCNC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate?
The InChIKey is XXGTUVZKWZJCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)7-8-15-10-9-11(10)16-12(17)18-14(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 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-(3,3-dimethylbutylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).