N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine

C10H19NO — CID 118053786

IUPACN,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine
SMILESCN(C)C[C@@H]1OC12CCCCC2
InChIInChI=1S/C10H19NO/c1-11(2)8-9-10(12-9)6-4-3-5-7-10/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySBGULZUURZGXAB-VIFPVBQESA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds2

About N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine

N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine (PubChem CID 118053786) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine
PubChem CID118053786
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine
SMILESCN(C)C[C@@H]1OC12CCCCC2
InChIInChI=1S/C10H19NO/c1-11(2)8-9-10(12-9)6-4-3-5-7-10/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySBGULZUURZGXAB-VIFPVBQESA-N
XLogP1.65
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine (CID 118053786) is N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine is CN(C)C[C@@H]1OC12CCCCC2.
What is the InChIKey of N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine?
The InChIKey is SBGULZUURZGXAB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO/c1-11(2)8-9-10(12-9)6-4-3-5-7-10/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-1-oxaspiro[2.5]octan-2-yl]methanamine is sourced from PubChem (CID 118053786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).