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

C17H30N2O3 — CID 102613515

IUPACtert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCC=CO1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-11-13-7-6-9-15(13)18-12-14-8-4-5-10-21-14/h5,10,13-15,18H,4,6-9,11-12H2,1-3H3,(H,19,20)
InChIKeyAMBKANMSRRWCIB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.96
Rot. Bonds5

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

tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate (PubChem CID 102613515) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
PubChem CID102613515
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCC=CO1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-11-13-7-6-9-15(13)18-12-14-8-4-5-10-21-14/h5,10,13-15,18H,4,6-9,11-12H2,1-3H3,(H,19,20)
InChIKeyAMBKANMSRRWCIB-UHFFFAOYSA-N
XLogP2.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.96
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 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)azepane-1-carboxylate
CID 102613514
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)cyclopentyl]carbamate
CID 102613520
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 102613522
tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate
CID 103949466
tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate
CID 104582718
tert-butyl 3-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 105022114
tert-butyl 3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107094842
tert-butyl N-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propyl]carbamate
CID 107094851
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate (CID 102613515) is tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is AMBKANMSRRWCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-11-13-7-6-9-15(13)18-12-14-8-4-5-10-21-14/h5,10,13-15,18H,4,6-9,11-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.96, 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)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 102613515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).