2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate

C12H22N2O2 — CID 102952283

IUPAC2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate
SMILESNC(=O)OCCNC1CCC12CCCCC2
InChIInChI=1S/C12H22N2O2/c13-11(15)16-9-8-14-10-4-7-12(10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyZICGNVKUJHYWDM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.78
Rot. Bonds4

About 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate

2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate (PubChem CID 102952283) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate
PubChem CID102952283
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate
SMILESNC(=O)OCCNC1CCC12CCCCC2
InChIInChI=1S/C12H22N2O2/c13-11(15)16-9-8-14-10-4-7-12(10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyZICGNVKUJHYWDM-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 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 ≤ 51.78
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

N-(2-cyclohexyloxyethyl)spiro[3.5]nonan-3-amine
CID 102951932
2,2-dimethyl-3-(spiro[3.5]nonan-3-ylamino)propanamide
CID 106276191
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N-but-3-ynylspiro[3.5]nonan-3-amine
CID 102951944
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
CID 122084464
2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate?
The IUPAC name of 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate (CID 102952283) is 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate?
The canonical SMILES for 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate is NC(=O)OCCNC1CCC12CCCCC2.
What is the InChIKey of 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate?
The InChIKey is ZICGNVKUJHYWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11(15)16-9-8-14-10-4-7-12(10)5-2-1-3-6-12/h10,14H,1-9H2,(H2,13,15).
What are the key properties of 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate?
2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[3.5]nonan-3-ylamino)ethyl carbamate is sourced from PubChem (CID 102952283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).