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

C18H32N2O3 — CID 102613522

IUPACtert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CCC=CO1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)20-12-14-8-4-5-10-16(14)19-13-15-9-6-7-11-22-15/h7,11,14-16,19H,4-6,8-10,12-13H2,1-3H3,(H,20,21)
InChIKeyZBPMHHVOTNZEDH-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.35
Rot. Bonds5

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

tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 102613522) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID102613522
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC1CCC=CO1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)20-12-14-8-4-5-10-16(14)19-13-15-9-6-7-11-22-15/h7,11,14-16,19H,4-6,8-10,12-13H2,1-3H3,(H,20,21)
InChIKeyZBPMHHVOTNZEDH-UHFFFAOYSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.35
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 N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cycloheptyl]carbamate
CID 103082560
tert-butyl N-[[2-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695476
tert-butyl N-[[2-(cyclohex-3-en-1-ylamino)cyclohexyl]methyl]carbamate
CID 103695535
tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclohexyl]methyl]carbamate
CID 103949463
tert-butyl 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 105022114
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
CID 107094890
tert-butyl 3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 107094910
tert-butyl N-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-2-yl]carbamate
CID 107094927
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylpentyl]carbamate
CID 107094950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate (CID 102613522) is tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is ZBPMHHVOTNZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)20-12-14-8-4-5-10-16(14)19-13-15-9-6-7-11-22-15/h7,11,14-16,19H,4-6,8-10,12-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 324.46 g/mol, XLogP of 3.35, 5 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)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 102613522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).