7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine

C14H20N2 — CID 153367717

IUPAC7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine
SMILESC/C=C\C1=C(C=C(C)C)N=C(N)C12CCC2
InChIInChI=1S/C14H20N2/c1-4-6-11-12(9-10(2)3)16-13(15)14(11)7-5-8-14/h4,6,9H,5,7-8H2,1-3H3,(H2,15,16)/b6-4-
InChIKeyWPCGNYGGGUGRTG-XQRVVYSFSA-N
MW216.33 g/mol
LogP3.32
Rot. Bonds2

About 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine

7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine (PubChem CID 153367717) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine.

Molecular Properties

Compound Name7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine
PubChem CID153367717
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine
SMILESC/C=C\C1=C(C=C(C)C)N=C(N)C12CCC2
InChIInChI=1S/C14H20N2/c1-4-6-11-12(9-10(2)3)16-13(15)14(11)7-5-8-14/h4,6,9H,5,7-8H2,1-3H3,(H2,15,16)/b6-4-
InChIKeyWPCGNYGGGUGRTG-XQRVVYSFSA-N
XLogP3.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine?
The IUPAC name of 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine (CID 153367717) is 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine.
What is the SMILES notation for 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine?
The canonical SMILES for 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine is C/C=C\C1=C(C=C(C)C)N=C(N)C12CCC2.
What is the InChIKey of 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine?
The InChIKey is WPCGNYGGGUGRTG-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-6-11-12(9-10(2)3)16-13(15)14(11)7-5-8-14/h4,6,9H,5,7-8H2,1-3H3,(H2,15,16)/b6-4-.
What are the key properties of 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine?
7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine has a molecular weight of 216.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-1-enyl)-8-[(Z)-prop-1-enyl]-6-azaspiro[3.4]octa-5,7-dien-5-amine is sourced from PubChem (CID 153367717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).