ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine

C13H26N2 — CID 156639567

IUPACethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine
SMILESC=C(C)N1CCC2(CC1)CC(N)C2.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-5-3-11(4-6-13)7-10(12)8-11;1-2/h10H,1,3-8,12H2,2H3;1-2H3
InChIKeyGDPNACSGLXKJQK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.75
Rot. Bonds1

About ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine

ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine (PubChem CID 156639567) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Nameethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine
PubChem CID156639567
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine
SMILESC=C(C)N1CCC2(CC1)CC(N)C2.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-5-3-11(4-6-13)7-10(12)8-11;1-2/h10H,1,3-8,12H2,2H3;1-2H3
InChIKeyGDPNACSGLXKJQK-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine (CID 156639567) is ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine is C=C(C)N1CCC2(CC1)CC(N)C2.CC.
What is the InChIKey of ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is GDPNACSGLXKJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-9(2)13-5-3-11(4-6-13)7-10(12)8-11;1-2/h10H,1,3-8,12H2,2H3;1-2H3.
What are the key properties of ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine?
ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-prop-1-en-2-yl-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 156639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).