7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

C10H18N4 — CID 79496751

IUPAC7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(C)C2
InChIInChI=1S/C10H18N4/c1-3-5-14-9(11)12-7-10(14)4-6-13(2)8-10/h3H,1,4-8H2,2H3,(H2,11,12)
InChIKeyLMIWWHAKBVWTFY-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.12
Rot. Bonds2

About 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 79496751) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID79496751
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(C)C2
InChIInChI=1S/C10H18N4/c1-3-5-14-9(11)12-7-10(14)4-6-13(2)8-10/h3H,1,4-8H2,2H3,(H2,11,12)
InChIKeyLMIWWHAKBVWTFY-UHFFFAOYSA-N
XLogP-0.12
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 79496751) is 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is C=CCN1C(N)=NCC12CCN(C)C2.
What is the InChIKey of 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is LMIWWHAKBVWTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-14-9(11)12-7-10(14)4-6-13(2)8-10/h3H,1,4-8H2,2H3,(H2,11,12).
What are the key properties of 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 194.28 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79496751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).