1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H26N4 — CID 79496733

IUPAC1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC1CCC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C13H26N4/c1-4-11-5-6-13(9-11)10-15-12(14)17(13)8-7-16(2)3/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyNZMFUYYEUJZMCI-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79496733) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79496733
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC1CCC2(CN=C(N)N2CCN(C)C)C1
InChIInChI=1S/C13H26N4/c1-4-11-5-6-13(9-11)10-15-12(14)17(13)8-7-16(2)3/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyNZMFUYYEUJZMCI-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79496733) is 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is CCC1CCC2(CN=C(N)N2CCN(C)C)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is NZMFUYYEUJZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-11-5-6-13(9-11)10-15-12(14)17(13)8-7-16(2)3/h11H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 238.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79496733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).