tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate

C13H28N2O2 — CID 89229854

IUPACtert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
SMILESCCC(CCNC)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-11(7-9-14-5)8-10-15-12(16)17-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyDEDUDLRWFDBKSD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.54
Rot. Bonds7

About tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate

tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate (PubChem CID 89229854) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
PubChem CID89229854
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
SMILESCCC(CCNC)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-11(7-9-14-5)8-10-15-12(16)17-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyDEDUDLRWFDBKSD-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] methanesulfonate
CID 163576586
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
CID 143883094
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[1-(methylamino)heptan-4-yl]carbamate
CID 145027232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate (CID 89229854) is tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate is CCC(CCNC)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate?
The InChIKey is DEDUDLRWFDBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-11(7-9-14-5)8-10-15-12(16)17-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate?
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate is sourced from PubChem (CID 89229854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).