7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane

C12H27N3 — CID 155707389

IUPAC7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane
SMILESCC.CNC1CC2(CCN(CN)CC2)C1
InChIInChI=1S/C10H21N3.C2H6/c1-12-9-6-10(7-9)2-4-13(8-11)5-3-10;1-2/h9,12H,2-8,11H2,1H3;1-2H3
InChIKeyKWZNRFLPHLTBBH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.39
Rot. Bonds2

About 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane

7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane (PubChem CID 155707389) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane.

Molecular Properties

Compound Name7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane
PubChem CID155707389
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane
SMILESCC.CNC1CC2(CCN(CN)CC2)C1
InChIInChI=1S/C10H21N3.C2H6/c1-12-9-6-10(7-9)2-4-13(8-11)5-3-10;1-2/h9,12H,2-8,11H2,1H3;1-2H3
InChIKeyKWZNRFLPHLTBBH-UHFFFAOYSA-N
XLogP1.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane?
The IUPAC name of 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane (CID 155707389) is 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane.
What is the SMILES notation for 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane?
The canonical SMILES for 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane is CC.CNC1CC2(CCN(CN)CC2)C1.
What is the InChIKey of 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane?
The InChIKey is KWZNRFLPHLTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C2H6/c1-12-9-6-10(7-9)2-4-13(8-11)5-3-10;1-2/h9,12H,2-8,11H2,1H3;1-2H3.
What are the key properties of 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane?
7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane has a molecular weight of 213.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane is sourced from PubChem (CID 155707389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).