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

C15H30N2O2 — CID 66596586

IUPACtert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
SMILESCC(C)CNC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)9-16-10-12-7-6-8-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNJKFFAHFUAOAPJ-STQMWFEESA-N
MW270.42 g/mol
LogP2.93
Rot. Bonds5

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

tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate (PubChem CID 66596586) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
PubChem CID66596586
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
SMILESCC(C)CNC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)9-16-10-12-7-6-8-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNJKFFAHFUAOAPJ-STQMWFEESA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.93
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]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate (CID 66596586) is tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate is CC(C)CNC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate?
The InChIKey is NJKFFAHFUAOAPJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)9-16-10-12-7-6-8-13(12)17-14(18)19-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.93, 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]cyclopentyl]carbamate is sourced from PubChem (CID 66596586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).