tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate

C11H25N3O2 — CID 102729964

IUPACtert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
SMILESCCNC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-6-13-9(7-12)8(2)14-10(15)16-11(3,4)5/h8-9,13H,6-7,12H2,1-5H3,(H,14,15)
InChIKeyLLCICIYVCOJWSY-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.84
Rot. Bonds5

About tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate (PubChem CID 102729964) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
PubChem CID102729964
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Nametert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
SMILESCCNC(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-6-13-9(7-12)8(2)14-10(15)16-11(3,4)5/h8-9,13H,6-7,12H2,1-5H3,(H,14,15)
InChIKeyLLCICIYVCOJWSY-UHFFFAOYSA-N
XLogP0.84
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-(but-3-enylamino)butan-2-yl]carbamate
CID 102730466
tert-butyl N-[4-amino-3-(4-hydroxybutan-2-ylamino)butan-2-yl]carbamate
CID 102730417
tert-butyl N-[4-amino-3-(5-hydroxypentan-2-ylamino)butan-2-yl]carbamate
CID 102730361
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl 2,4-diamino-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 122688090
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[4-amino-3-(3-bromo-5-methylanilino)butan-2-yl]carbamate
CID 107582842
tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
CID 102730097
tert-butyl N-[1-cyclohexyl-1-(ethylamino)propan-2-yl]carbamate
CID 69262935
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate (CID 102729964) is tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate is CCNC(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate?
The InChIKey is LLCICIYVCOJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-6-13-9(7-12)8(2)14-10(15)16-11(3,4)5/h8-9,13H,6-7,12H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 102729964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).