1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

C14H25N3 — CID 79520870

IUPAC1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC1CCC2(CN=C(N)N2C2CCCC2)C1
InChIInChI=1S/C14H25N3/c1-2-11-7-8-14(9-11)10-16-13(15)17(14)12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H2,15,16)
InChIKeyNYNDBUJPBSMAEM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.51
Rot. Bonds2

About 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79520870) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79520870
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCC1CCC2(CN=C(N)N2C2CCCC2)C1
InChIInChI=1S/C14H25N3/c1-2-11-7-8-14(9-11)10-16-13(15)17(14)12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H2,15,16)
InChIKeyNYNDBUJPBSMAEM-UHFFFAOYSA-N
XLogP2.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79520870) is 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is CCC1CCC2(CN=C(N)N2C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is NYNDBUJPBSMAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-11-7-8-14(9-11)10-16-13(15)17(14)12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H2,15,16).
What are the key properties of 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79520870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).