tert-butyl N-(2-aminoethyl)-N-benzylcarbamate

C14H22N2O2 — CID 2760958

IUPACtert-butyl N-(2-aminoethyl)-N-benzylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3
InChIKeyNFGJZHRLYRSRPU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-benzylcarbamate

tert-butyl N-(2-aminoethyl)-N-benzylcarbamate (PubChem CID 2760958) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-benzylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-benzylcarbamate
PubChem CID2760958
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-(2-aminoethyl)-N-benzylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3
InChIKeyNFGJZHRLYRSRPU-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl benzylcarbamate
CID 75801
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
methyl N-benzylcarbamate
CID 232620
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
4-Boc-aminomethyl-benzonitrile
CID 10799583
Tritert-butyl 11-[[4-[[4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 471516
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
CID 18369537
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-benzylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-benzylcarbamate (CID 2760958) is tert-butyl N-(2-aminoethyl)-N-benzylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-benzylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-benzylcarbamate is CC(C)(C)OC(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-benzylcarbamate?
The InChIKey is NFGJZHRLYRSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(10-9-15)11-12-7-5-4-6-8-12/h4-8H,9-11,15H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-benzylcarbamate?
tert-butyl N-(2-aminoethyl)-N-benzylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-benzylcarbamate is sourced from PubChem (CID 2760958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).