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

C17H34N2O3 — CID 103894993

IUPACtert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCOCC1
InChIInChI=1S/C17H34N2O3/c1-5-6-8-15(13-18-16(20)22-17(2,3)4)19-14-9-7-11-21-12-10-14/h14-15,19H,5-13H2,1-4H3,(H,18,20)
InChIKeyFTGNEBMRMRRFKC-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.23
Rot. Bonds7

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

tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate (PubChem CID 103894993) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
PubChem CID103894993
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCCOCC1
InChIInChI=1S/C17H34N2O3/c1-5-6-8-15(13-18-16(20)22-17(2,3)4)19-14-9-7-11-21-12-10-14/h14-15,19H,5-13H2,1-4H3,(H,18,20)
InChIKeyFTGNEBMRMRRFKC-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate (CID 103894993) is tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CCCOCC1.
What is the InChIKey of tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate?
The InChIKey is FTGNEBMRMRRFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-6-8-15(13-18-16(20)22-17(2,3)4)19-14-9-7-11-21-12-10-14/h14-15,19H,5-13H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate?
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.23, 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-(oxepan-4-ylamino)hexyl]carbamate is sourced from PubChem (CID 103894993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).