tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate

C13H27N3O2 — CID 107245345

IUPACtert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CC(N)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-5-16(12(17)18-13(2,3)4)7-6-15-11-8-10(14)9-11/h10-11,15H,5-9,14H2,1-4H3
InChIKeyUJYUNRGUOXEHCP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.32
Rot. Bonds5

About tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate (PubChem CID 107245345) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
PubChem CID107245345
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CC(N)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-5-16(12(17)18-13(2,3)4)7-6-15-11-8-10(14)9-11/h10-11,15H,5-9,14H2,1-4H3
InChIKeyUJYUNRGUOXEHCP-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-ethyl-N-[2-[(3,3,5-trimethylcyclohexyl)amino]ethyl]carbamate
CID 107245391
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
CID 80560855
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate (CID 107245345) is tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate is CCN(CCNC1CC(N)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate?
The InChIKey is UJYUNRGUOXEHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16(12(17)18-13(2,3)4)7-6-15-11-8-10(14)9-11/h10-11,15H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate has a molecular weight of 257.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 107245345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).