tert-butyl N-[6-(benzylamino)hexyl]carbamate

C18H30N2O2 — CID 10913810

IUPACtert-butyl N-[6-(benzylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-14-10-5-4-9-13-19-15-16-11-7-6-8-12-16/h6-8,11-12,19H,4-5,9-10,13-15H2,1-3H3,(H,20,21)
InChIKeyGQFLYXQETKSHHX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.86
Rot. Bonds9

About tert-butyl N-[6-(benzylamino)hexyl]carbamate

tert-butyl N-[6-(benzylamino)hexyl]carbamate (PubChem CID 10913810) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[6-(benzylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(benzylamino)hexyl]carbamate
PubChem CID10913810
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[6-(benzylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-14-10-5-4-9-13-19-15-16-11-7-6-8-12-16/h6-8,11-12,19H,4-5,9-10,13-15H2,1-3H3,(H,20,21)
InChIKeyGQFLYXQETKSHHX-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
methyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]benzoate
CID 67163687
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl 2-amino-2-[4-[[4-(phenylmethoxycarbonylamino)butylamino]methyl]phenyl]acetate
CID 66941322
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-(3-benzylsulfanylpropyl)carbamate
CID 71600352
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[3-[(N-benzyl-N'-methylcarbamimidoyl)amino]propyl]carbamate
CID 110954938

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(benzylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(benzylamino)hexyl]carbamate (CID 10913810) is tert-butyl N-[6-(benzylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(benzylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(benzylamino)hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCNCc1ccccc1.
What is the InChIKey of tert-butyl N-[6-(benzylamino)hexyl]carbamate?
The InChIKey is GQFLYXQETKSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20-14-10-5-4-9-13-19-15-16-11-7-6-8-12-16/h6-8,11-12,19H,4-5,9-10,13-15H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[6-(benzylamino)hexyl]carbamate?
tert-butyl N-[6-(benzylamino)hexyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(benzylamino)hexyl]carbamate is sourced from PubChem (CID 10913810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).