tert-butyl N-(9-aminononyl)carbamate

C14H30N2O2 — CID 3614320

IUPACtert-butyl N-(9-aminononyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCN
InChIInChI=1S/C14H30N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-4-5-7-9-11-15/h4-12,15H2,1-3H3,(H,16,17)
InChIKeyGZUNGYDAMPRXSU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.20
Rot. Bonds9

About tert-butyl N-(9-aminononyl)carbamate

tert-butyl N-(9-aminononyl)carbamate (PubChem CID 3614320) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-(9-aminononyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(9-aminononyl)carbamate
PubChem CID3614320
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-(9-aminononyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCN
InChIInChI=1S/C14H30N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-4-5-7-9-11-15/h4-12,15H2,1-3H3,(H,16,17)
InChIKeyGZUNGYDAMPRXSU-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.20
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-(4-aminobutyl)carbamate
CID 4351
tert-butyl N-cyclohexylcarbamate
CID 300728
tert-butyl N-[1-(aminomethyl)pentadecyl]carbamate
CID 15673758
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (3-aminopropyl)carbamate
CID 2735700
Cis tert-Butyl 4-aminocyclohexylcarbamate
CID 2756050
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
Tert-butyl N-butylcarbamate
CID 4271883
tert-butyl N-[1-(ethylaminomethyl)pentadecyl]carbamate
CID 44322386
methyl N-octylcarbamate
CID 3561629
tert-butyl N-(7-bromoheptyl)carbamate
CID 10108474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(9-aminononyl)carbamate?
The IUPAC name of tert-butyl N-(9-aminononyl)carbamate (CID 3614320) is tert-butyl N-(9-aminononyl)carbamate.
What is the SMILES notation for tert-butyl N-(9-aminononyl)carbamate?
The canonical SMILES for tert-butyl N-(9-aminononyl)carbamate is CC(C)(C)OC(=O)NCCCCCCCCCN.
What is the InChIKey of tert-butyl N-(9-aminononyl)carbamate?
The InChIKey is GZUNGYDAMPRXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-4-5-7-9-11-15/h4-12,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(9-aminononyl)carbamate?
tert-butyl N-(9-aminononyl)carbamate has a molecular weight of 258.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(9-aminononyl)carbamate is sourced from PubChem (CID 3614320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).