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

C19H40N2O2 — CID 106023012

IUPACtert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
SMILESCCCCC(CCC)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40N2O2/c1-9-11-13-16(12-10-2)20-14-15-21(18(3,4)5)17(22)23-19(6,7)8/h16,20H,9-15H2,1-8H3
InChIKeyROVYXJHVLAHXQF-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.97
Rot. Bonds9

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

tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate (PubChem CID 106023012) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
PubChem CID106023012
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Nametert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
SMILESCCCCC(CCC)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H40N2O2/c1-9-11-13-16(12-10-2)20-14-15-21(18(3,4)5)17(22)23-19(6,7)8/h16,20H,9-15H2,1-8H3
InChIKeyROVYXJHVLAHXQF-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate (CID 106023012) is tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate is CCCCC(CCC)NCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate?
The InChIKey is ROVYXJHVLAHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-9-11-13-16(12-10-2)20-14-15-21(18(3,4)5)17(22)23-19(6,7)8/h16,20H,9-15H2,1-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate has a molecular weight of 328.54 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate is sourced from PubChem (CID 106023012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).