butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate

C12H22N2O2 — CID 139641646

IUPACbutyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
SMILESCCCCOC(=O)NC1CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-2-3-8-16-11(15)14-10-9-12(10)4-6-13-7-5-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyFVFMQUPGULYPBV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds4

About butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate

butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate (PubChem CID 139641646) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
PubChem CID139641646
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namebutyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
SMILESCCCCOC(=O)NC1CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-2-3-8-16-11(15)14-10-9-12(10)4-6-13-7-5-12/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyFVFMQUPGULYPBV-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
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

butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 154382947
butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
CID 54259099
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
butyl N-piperazin-1-ylcarbamate
CID 154398966
butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
CID 144589052
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
CID 160683329
butyl N-(1-formylcyclopentyl)carbamate
CID 87815678
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480

Frequently Asked Questions

What is the IUPAC name of butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate?
The IUPAC name of butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate (CID 139641646) is butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate.
What is the SMILES notation for butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate?
The canonical SMILES for butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate is CCCCOC(=O)NC1CC12CCNCC2.
What is the InChIKey of butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate?
The InChIKey is FVFMQUPGULYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-8-16-11(15)14-10-9-12(10)4-6-13-7-5-12/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate?
butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate is sourced from PubChem (CID 139641646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).