tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate

C17H32N2O3 — CID 107095362

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C17H32N2O3/c1-5-6-9-14(12-19-16(20)22-17(2,3)4)18-13-15-10-7-8-11-21-15/h8,11,14-15,18H,5-7,9-10,12-13H2,1-4H3,(H,19,20)
InChIKeyTUEKTSMCIOLQTK-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.35
Rot. Bonds8

About tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate (PubChem CID 107095362) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate
PubChem CID107095362
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C17H32N2O3/c1-5-6-9-14(12-19-16(20)22-17(2,3)4)18-13-15-10-7-8-11-21-15/h8,11,14-15,18H,5-7,9-10,12-13H2,1-4H3,(H,19,20)
InChIKeyTUEKTSMCIOLQTK-UHFFFAOYSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
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tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
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tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
CID 107256493
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 103753218
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate (CID 107095362) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate?
The InChIKey is TUEKTSMCIOLQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-6-9-14(12-19-16(20)22-17(2,3)4)18-13-15-10-7-8-11-21-15/h8,11,14-15,18H,5-7,9-10,12-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate is sourced from PubChem (CID 107095362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).