tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate

C14H28N2O3 — CID 107248450

IUPACtert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCOCC1
InChIInChI=1S/C14H28N2O3/c1-11(10-15-13(17)19-14(2,3)4)16-12-6-5-8-18-9-7-12/h11-12,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyIZHKFCJIVJQSKB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate

tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate (PubChem CID 107248450) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
PubChem CID107248450
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCOCC1
InChIInChI=1S/C14H28N2O3/c1-11(10-15-13(17)19-14(2,3)4)16-12-6-5-8-18-9-7-12/h11-12,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyIZHKFCJIVJQSKB-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
CID 107441396
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]propyl]carbamate
CID 103388270
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate (CID 107248450) is tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CCCOCC1.
What is the InChIKey of tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate?
The InChIKey is IZHKFCJIVJQSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(10-15-13(17)19-14(2,3)4)16-12-6-5-8-18-9-7-12/h11-12,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate?
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate is sourced from PubChem (CID 107248450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).