tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate

C16H32N2O2 — CID 58015323

IUPACtert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate
SMILESCC(C)CNC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyQZZXXOVVBIPHGZ-KBPBESRZSA-N
MW284.44 g/mol
LogP3.32
Rot. Bonds5

About tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate

tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate (PubChem CID 58015323) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate
PubChem CID58015323
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate
SMILESCC(C)CNC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyQZZXXOVVBIPHGZ-KBPBESRZSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate (CID 58015323) is tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate is CC(C)CNC[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate?
The InChIKey is QZZXXOVVBIPHGZ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate?
tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 58015323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).