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

C15H28N2O3 — CID 107094890

IUPACtert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(CCNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(17-14(18)20-15(2,3)4)8-9-16-11-13-7-5-6-10-19-13/h6,10,12-13,16H,5,7-9,11H2,1-4H3,(H,17,18)
InChIKeyKRMWRINYJFYOTN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds6

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

tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate (PubChem CID 107094890) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
PubChem CID107094890
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(CCNCC1CCC=CO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(17-14(18)20-15(2,3)4)8-9-16-11-13-7-5-6-10-19-13/h6,10,12-13,16H,5,7-9,11H2,1-4H3,(H,17,18)
InChIKeyKRMWRINYJFYOTN-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
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

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CID 45103018
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Tert-butyl ((3,4-dihydro-2H-pyran-2-yl)methyl)carbamate
CID 15728132
[(1R)-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethyl]carbamic acid
CID 137527065
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CID 163646342
tert-butyl N-[1-(propan-2-ylamino)hex-5-en-3-yl]carbamate
CID 10890532
tert-butyl N-[(2R,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]carbamate
CID 11367866
tert-butyl 4-[(2-methyl-3H-furan-2-yl)methylamino]piperidine-1-carboxylate
CID 53443720
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62065283
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl carbamate
CID 83202562
tert-butyl N-[(3R)-1-(propan-2-ylamino)hex-5-en-3-yl]carbamate
CID 101247348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate (CID 107094890) is tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate is CC(CCNCC1CCC=CO1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is KRMWRINYJFYOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(17-14(18)20-15(2,3)4)8-9-16-11-13-7-5-6-10-19-13/h6,10,12-13,16H,5,7-9,11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.57, 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-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107094890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).