1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

C13H25N3 — CID 79497099

IUPAC1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCCC2
InChIInChI=1S/C13H25N3/c1-11(2)9-16-12(14)15-10-13(16)7-5-3-4-6-8-13/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyQZUWWBHBUVNFJQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79497099) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79497099
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCCCC2
InChIInChI=1S/C13H25N3/c1-11(2)9-16-12(14)15-10-13(16)7-5-3-4-6-8-13/h11H,3-10H2,1-2H3,(H2,14,15)
InChIKeyQZUWWBHBUVNFJQ-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79497099) is 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCCCCC2.
What is the InChIKey of 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is QZUWWBHBUVNFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)9-16-12(14)15-10-13(16)7-5-3-4-6-8-13/h11H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79497099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).