N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine

C15H29N3OS — CID 136896914

IUPACN,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
SMILESCC1CCCC2(CS/C(=N\CCOCCN(C)C)N2)C1
InChIInChI=1S/C15H29N3OS/c1-13-5-4-6-15(11-13)12-20-14(17-15)16-7-9-19-10-8-18(2)3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyDKTJTYUYKVSIFG-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.21
Rot. Bonds6

About N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine

N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine (PubChem CID 136896914) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
PubChem CID136896914
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
SMILESCC1CCCC2(CS/C(=N\CCOCCN(C)C)N2)C1
InChIInChI=1S/C15H29N3OS/c1-13-5-4-6-15(11-13)12-20-14(17-15)16-7-9-19-10-8-18(2)3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyDKTJTYUYKVSIFG-UHFFFAOYSA-N
XLogP2.21
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine (CID 136896914) is N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine is CC1CCCC2(CS/C(=N\CCOCCN(C)C)N2)C1.
What is the InChIKey of N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine?
The InChIKey is DKTJTYUYKVSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-13-5-4-6-15(11-13)12-20-14(17-15)16-7-9-19-10-8-18(2)3/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine?
N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine has a molecular weight of 299.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine is sourced from PubChem (CID 136896914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).