tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate

C13H28N2O3 — CID 152912465

IUPACtert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
SMILESCNCCCC[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)18-12(16)15-11(10-17-5)8-6-7-9-14-4/h11,14H,6-10H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyUHLXUNADYUFHET-NSHDSACASA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds8

About tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate

tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate (PubChem CID 152912465) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
PubChem CID152912465
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
SMILESCNCCCC[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)18-12(16)15-11(10-17-5)8-6-7-9-14-4/h11,14H,6-10H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyUHLXUNADYUFHET-NSHDSACASA-N
XLogP1.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 23566999
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tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
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tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
tert-butyl N-decan-5-ylcarbamate
CID 174754300
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 170910958
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
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CID 58758815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate (CID 152912465) is tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate is CNCCCC[C@@H](COC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate?
The InChIKey is UHLXUNADYUFHET-NSHDSACASA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,3)18-12(16)15-11(10-17-5)8-6-7-9-14-4/h11,14H,6-10H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate has a molecular weight of 260.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate is sourced from PubChem (CID 152912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).