tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate

C13H26N2O3 — CID 129433606

IUPACtert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
SMILESCN(CCN(C)[C@H]1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(5)8-7-14(4)11-6-9-17-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyQRQJTDNPYVUGOJ-NSHDSACASA-N
MW258.36 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate (PubChem CID 129433606) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
PubChem CID129433606
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
SMILESCN(CCN(C)[C@H]1CCOC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(5)8-7-14(4)11-6-9-17-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyQRQJTDNPYVUGOJ-NSHDSACASA-N
XLogP1.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
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hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
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tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
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tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
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tert-butyl N-(dioxan-4-yl)-N-methylcarbamate
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CID 82739830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate (CID 129433606) is tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate is CN(CCN(C)[C@H]1CCOC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate?
The InChIKey is QRQJTDNPYVUGOJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(5)8-7-14(4)11-6-9-17-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate is sourced from PubChem (CID 129433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).