tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate

C15H32N2O2 — CID 163702622

IUPACtert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
SMILESCCCCC(CC)[C@H](N)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-9-12(7-2)13(16)10-11-17-14(18)19-15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKCIWGJGIHODDJZ-ZGTCLIOFSA-N
MW272.43 g/mol
LogP3.44
Rot. Bonds8

About tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate

tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate (PubChem CID 163702622) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
PubChem CID163702622
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
SMILESCCCCC(CC)[C@H](N)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-9-12(7-2)13(16)10-11-17-14(18)19-15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18)/t12?,13-/m1/s1
InChIKeyKCIWGJGIHODDJZ-ZGTCLIOFSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R,4R,5R)-4,6-diamino-3-ethyl-5-methylhexyl]carbamate
CID 164914687
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-butylcarbamate;methane
CID 153346289
3-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]heptanoic acid
CID 170564896
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-(3-aminooxyhexyl)carbamate
CID 105491431
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-hexyldecanoate
CID 177295744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate (CID 163702622) is tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate is CCCCC(CC)[C@H](N)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate?
The InChIKey is KCIWGJGIHODDJZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-8-9-12(7-2)13(16)10-11-17-14(18)19-15(3,4)5/h12-13H,6-11,16H2,1-5H3,(H,17,18)/t12?,13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate?
tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate is sourced from PubChem (CID 163702622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).