[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine

C12H23ClN2 — CID 71649167

IUPAC[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine
SMILESNCC1CCC2(CC1)CCN(CCCl)C2
InChIInChI=1S/C12H23ClN2/c13-6-8-15-7-5-12(10-15)3-1-11(9-14)2-4-12/h11H,1-10,14H2
InChIKeyRYPPVQNQUYEINB-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.07
Rot. Bonds3

About [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine

[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine (PubChem CID 71649167) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine
PubChem CID71649167
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine
SMILESNCC1CCC2(CC1)CCN(CCCl)C2
InChIInChI=1S/C12H23ClN2/c13-6-8-15-7-5-12(10-15)3-1-11(9-14)2-4-12/h11H,1-10,14H2
InChIKeyRYPPVQNQUYEINB-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(5S,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
CID 97168990
2-(2-chloroethyl)-8-thia-2-azaspiro[4.5]decane
CID 130137835
(5S,8S)-2-(2-aminoethyl)-2-azaspiro[4.4]nonan-8-amine
CID 129426141
2-[2-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]ethanol
CID 71649151
2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
CID 97168987
2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 97169857
2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
CID 71649157
2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 98089074
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570
1-(2-chloroethyl)-3,3-dimethylpyrrolidine
CID 18182640
3-(5-azaspiro[2.4]heptan-5-yl)propan-1-ol
CID 16736944
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine?
The IUPAC name of [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine (CID 71649167) is [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine.
What is the SMILES notation for [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine?
The canonical SMILES for [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine is NCC1CCC2(CC1)CCN(CCCl)C2.
What is the InChIKey of [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine?
The InChIKey is RYPPVQNQUYEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c13-6-8-15-7-5-12(10-15)3-1-11(9-14)2-4-12/h11H,1-10,14H2.
What are the key properties of [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine?
[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine has a molecular weight of 230.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine is sourced from PubChem (CID 71649167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).