1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine

C17H24N2 — CID 155014987

IUPAC1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine
SMILESC=CC1=C(N=C(C)C)C2(C=C1C(=C)N)C(C)CC2C
InChIInChI=1S/C17H24N2/c1-7-14-15(13(6)18)9-17(11(4)8-12(17)5)16(14)19-10(2)3/h7,9,11-12H,1,6,8,18H2,2-5H3
InChIKeySTANEAHUGLSHMK-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.98
Rot. Bonds3

About 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine

1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine (PubChem CID 155014987) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine.

Molecular Properties

Compound Name1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine
PubChem CID155014987
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine
SMILESC=CC1=C(N=C(C)C)C2(C=C1C(=C)N)C(C)CC2C
InChIInChI=1S/C17H24N2/c1-7-14-15(13(6)18)9-17(11(4)8-12(17)5)16(14)19-10(2)3/h7,9,11-12H,1,6,8,18H2,2-5H3
InChIKeySTANEAHUGLSHMK-UHFFFAOYSA-N
XLogP3.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine?
The IUPAC name of 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine (CID 155014987) is 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine.
What is the SMILES notation for 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine?
The canonical SMILES for 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine is C=CC1=C(N=C(C)C)C2(C=C1C(=C)N)C(C)CC2C.
What is the InChIKey of 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine?
The InChIKey is STANEAHUGLSHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-7-14-15(13(6)18)9-17(11(4)8-12(17)5)16(14)19-10(2)3/h7,9,11-12H,1,6,8,18H2,2-5H3.
What are the key properties of 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine?
1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine has a molecular weight of 256.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethenyl-1,3-dimethyl-8-(propan-2-ylideneamino)spiro[3.4]octa-5,7-dien-6-yl]ethenamine is sourced from PubChem (CID 155014987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).