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

C12H22N4 — CID 79496892

IUPAC7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(C(C)C)C2
InChIInChI=1S/C12H22N4/c1-4-6-16-11(13)14-8-12(16)5-7-15(9-12)10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,13,14)
InChIKeyKULVBODIBPXRBX-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.66
Rot. Bonds3

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

7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 79496892) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID79496892
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCN(C(C)C)C2
InChIInChI=1S/C12H22N4/c1-4-6-16-11(13)14-8-12(16)5-7-15(9-12)10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,13,14)
InChIKeyKULVBODIBPXRBX-UHFFFAOYSA-N
XLogP0.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.66
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-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 79496892) is 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is C=CCN1C(N)=NCC12CCN(C(C)C)C2.
What is the InChIKey of 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is KULVBODIBPXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-16-11(13)14-8-12(16)5-7-15(9-12)10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,13,14).
What are the key properties of 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79496892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).