tert-butyl N-(cyclododecylamino)carbamate

C17H34N2O2 — CID 107236860

IUPACtert-butyl N-(cyclododecylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-18-15-13-11-9-7-5-4-6-8-10-12-14-15/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyPQFPPNNIRNTHGI-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl N-(cyclododecylamino)carbamate

tert-butyl N-(cyclododecylamino)carbamate (PubChem CID 107236860) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-(cyclododecylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclododecylamino)carbamate
PubChem CID107236860
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-(cyclododecylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-18-15-13-11-9-7-5-4-6-8-10-12-14-15/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyPQFPPNNIRNTHGI-UHFFFAOYSA-N
XLogP4.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174659378
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclododecylamino)carbamate?
The IUPAC name of tert-butyl N-(cyclododecylamino)carbamate (CID 107236860) is tert-butyl N-(cyclododecylamino)carbamate.
What is the SMILES notation for tert-butyl N-(cyclododecylamino)carbamate?
The canonical SMILES for tert-butyl N-(cyclododecylamino)carbamate is CC(C)(C)OC(=O)NNC1CCCCCCCCCCC1.
What is the InChIKey of tert-butyl N-(cyclododecylamino)carbamate?
The InChIKey is PQFPPNNIRNTHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-18-15-13-11-9-7-5-4-6-8-10-12-14-15/h15,18H,4-14H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(cyclododecylamino)carbamate?
tert-butyl N-(cyclododecylamino)carbamate has a molecular weight of 298.47 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclododecylamino)carbamate is sourced from PubChem (CID 107236860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).