tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate

C19H38N2O2 — CID 107241352

IUPACtert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCCCCCCCC1
InChIInChI=1S/C19H38N2O2/c1-19(2,3)23-18(22)21-16-15-20-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,20H,4-16H2,1-3H3,(H,21,22)
InChIKeyKUQFQPPHCMEIIA-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.77
Rot. Bonds4

About tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate

tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate (PubChem CID 107241352) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
PubChem CID107241352
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCCCCCCCC1
InChIInChI=1S/C19H38N2O2/c1-19(2,3)23-18(22)21-16-15-20-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,20H,4-16H2,1-3H3,(H,21,22)
InChIKeyKUQFQPPHCMEIIA-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.77
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

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tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
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tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
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tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
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tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
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tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
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methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate (CID 107241352) is tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCCCCCCCCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate?
The InChIKey is KUQFQPPHCMEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-19(2,3)23-18(22)21-16-15-20-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,20H,4-16H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate?
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate is sourced from PubChem (CID 107241352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).