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

C17H32N2O3 — CID 107094950

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C17H32N2O3/c1-13(2)10-14(11-19-16(20)22-17(3,4)5)18-12-15-8-6-7-9-21-15/h7,9,13-15,18H,6,8,10-12H2,1-5H3,(H,19,20)
InChIKeyZFPMUMWJENBFQM-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.21
Rot. Bonds7

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

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate (PubChem CID 107094950) 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)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate
PubChem CID107094950
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1
InChIInChI=1S/C17H32N2O3/c1-13(2)10-14(11-19-16(20)22-17(3,4)5)18-12-15-8-6-7-9-21-15/h7,9,13-15,18H,6,8,10-12H2,1-5H3,(H,19,20)
InChIKeyZFPMUMWJENBFQM-UHFFFAOYSA-N
XLogP3.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]carbamate
CID 102613513
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 102613515
tert-butyl 3-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 102613518
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 102613522
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)azetidine-1-carboxylate
CID 102673371
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cycloheptyl]carbamate
CID 103082560
tert-butyl N-[2-(hex-5-en-2-ylamino)ethyl]-N-(2-methoxyethyl)carbamate
CID 104583664
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 105021775
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-2-yl]carbamate
CID 105021938
tert-butyl 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 105022114

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate (CID 107094950) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate?
The InChIKey is ZFPMUMWJENBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13(2)10-14(11-19-16(20)22-17(3,4)5)18-12-15-8-6-7-9-21-15/h7,9,13-15,18H,6,8,10-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.21, 7 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)-4-methylpentyl]carbamate is sourced from PubChem (CID 107094950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).