tert-butyl N-(1-aminoundecyl)carbamate

C16H34N2O2 — CID 170534301

IUPACtert-butyl N-(1-aminoundecyl)carbamate
SMILESCCCCCCCCCCC(N)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-5-6-7-8-9-10-11-12-13-14(17)18-15(19)20-16(2,3)4/h14H,5-13,17H2,1-4H3,(H,18,19)
InChIKeyQAECBCAPTRMFBI-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.33
Rot. Bonds10

About tert-butyl N-(1-aminoundecyl)carbamate

tert-butyl N-(1-aminoundecyl)carbamate (PubChem CID 170534301) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-(1-aminoundecyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminoundecyl)carbamate
PubChem CID170534301
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-(1-aminoundecyl)carbamate
SMILESCCCCCCCCCCC(N)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-5-6-7-8-9-10-11-12-13-14(17)18-15(19)20-16(2,3)4/h14H,5-13,17H2,1-4H3,(H,18,19)
InChIKeyQAECBCAPTRMFBI-UHFFFAOYSA-N
XLogP4.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
CID 151817419
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
(2R,6S)-6-amino-2-(hexanoylamino)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175275517
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
ethyl (3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]decanoate
CID 134945268
tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminoundecyl)carbamate?
The IUPAC name of tert-butyl N-(1-aminoundecyl)carbamate (CID 170534301) is tert-butyl N-(1-aminoundecyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-aminoundecyl)carbamate?
The canonical SMILES for tert-butyl N-(1-aminoundecyl)carbamate is CCCCCCCCCCC(N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-aminoundecyl)carbamate?
The InChIKey is QAECBCAPTRMFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-6-7-8-9-10-11-12-13-14(17)18-15(19)20-16(2,3)4/h14H,5-13,17H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(1-aminoundecyl)carbamate?
tert-butyl N-(1-aminoundecyl)carbamate has a molecular weight of 286.46 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminoundecyl)carbamate is sourced from PubChem (CID 170534301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).