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

C16H34N2O2 — CID 106022993

IUPACtert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
SMILESCCCCC(CCC)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-9-11-14(10-8-2)18-13(3)12-17-15(19)20-16(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,17,19)
InChIKeyYINCBRNCBZHUBU-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds9

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

tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate (PubChem CID 106022993) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
PubChem CID106022993
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
SMILESCCCCC(CCC)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-7-9-11-14(10-8-2)18-13(3)12-17-15(19)20-16(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,17,19)
InChIKeyYINCBRNCBZHUBU-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate (CID 106022993) is tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate is CCCCC(CCC)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate?
The InChIKey is YINCBRNCBZHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-9-11-14(10-8-2)18-13(3)12-17-15(19)20-16(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate?
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate has a molecular weight of 286.46 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate is sourced from PubChem (CID 106022993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).