tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate

C15H30N2O3 — CID 107247044

IUPACtert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
SMILESCC(CCNCC1CCC(C)O1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(17-14(18)20-15(3,4)5)8-9-16-10-13-7-6-12(2)19-13/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyWWKVQBLMWQFAKC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds6

About tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate

tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate (PubChem CID 107247044) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
PubChem CID107247044
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
SMILESCC(CCNCC1CCC(C)O1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(17-14(18)20-15(3,4)5)8-9-16-10-13-7-6-12(2)19-13/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyWWKVQBLMWQFAKC-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
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

tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
CID 106508878
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
CID 122497575
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate (CID 107247044) is tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate is CC(CCNCC1CCC(C)O1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate?
The InChIKey is WWKVQBLMWQFAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(17-14(18)20-15(3,4)5)8-9-16-10-13-7-6-12(2)19-13/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107247044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).