tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate

C16H32N2O2 — CID 68715214

IUPACtert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
SMILESCNC[C@H](CC1CCCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-16(2,3)20-15(19)18-14(12-17-4)11-13-9-7-5-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyOIJLLZWUQSBHIZ-AWEZNQCLSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate (PubChem CID 68715214) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
PubChem CID68715214
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
SMILESCNC[C@H](CC1CCCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-16(2,3)20-15(19)18-14(12-17-4)11-13-9-7-5-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyOIJLLZWUQSBHIZ-AWEZNQCLSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(methylamino)butan-2-yl]carbamate
CID 57229567
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 69262733
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
tert-butyl N-[(2S,4S,5R)-1-cyclohexyl-4-hydroxy-5-propan-2-ylhept-6-en-2-yl]carbamate
CID 56988028

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate (CID 68715214) is tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate is CNC[C@H](CC1CCCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate?
The InChIKey is OIJLLZWUQSBHIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(2,3)20-15(19)18-14(12-17-4)11-13-9-7-5-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate is sourced from PubChem (CID 68715214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).