(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine

C₁₀H₁₇N₃ — CID 156637648

About (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine

(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine (PubChem CID 156637648) has the molecular formula C₁₀H₁₇N₃ and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine.

Molecular Properties

• Compound Name: (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine
• PubChem CID: 156637648
• Molecular Formula: C₁₀H₁₇N₃
• Molecular Weight: 179.27 g/mol
• Exact Mass: 179.14
• IUPAC Name: (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine
• SMILES: C/C(N)=C/C1=NC2(CC2)CN(C)C1
• InChI: InChI=1S/C10H17N3/c1-8(11)5-9-6-13(2)7-10(12-9)3-4-10/h5H,3-4,6-7,11H2,1-2H3/b8-5-
• InChIKey: WYDJIPVZMVZFEZ-YVMONPNESA-N
• XLogP: 0.77
• TPSA: 41.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.27
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine?

The IUPAC name of (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine (CID 156637648) is (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine.

What is the SMILES notation for (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine?

The canonical SMILES for (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine is C/C(N)=C/C1=NC2(CC2)CN(C)C1.

What is the InChIKey of (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine?

The InChIKey is WYDJIPVZMVZFEZ-YVMONPNESA-N. The full InChI is InChI=1S/C10H17N3/c1-8(11)5-9-6-13(2)7-10(12-9)3-4-10/h5H,3-4,6-7,11H2,1-2H3/b8-5-.

What are the key properties of (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine?

(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine is sourced from PubChem (CID 156637648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156637648 — identifiers, structure, computed properties (public domain)

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