tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate

C15H30N2O2 — CID 175690167

IUPACtert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
SMILESC[C@H](N)C1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11(16)13-7-5-12(6-8-13)9-10-17-14(18)19-15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1
InChIKeyGXBIBKPCOYCFNH-HIFPTAJRSA-N
MW270.42 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate

tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate (PubChem CID 175690167) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
PubChem CID175690167
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
SMILESC[C@H](N)C1CCC(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11(16)13-7-5-12(6-8-13)9-10-17-14(18)19-15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1
InChIKeyGXBIBKPCOYCFNH-HIFPTAJRSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
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tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl] methanesulfonate
CID 87670836
tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
CID 165470885
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
CID 166469427
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate (CID 175690167) is tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate is C[C@H](N)C1CCC(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate?
The InChIKey is GXBIBKPCOYCFNH-HIFPTAJRSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(16)13-7-5-12(6-8-13)9-10-17-14(18)19-15(2,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12?,13?/m0/s1.
What are the key properties of tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate?
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 175690167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).